Hydrochloric Acid

Hydrochloric Acid

SCHEMBL16763418

CCOC(=O)[C@H]1C[C@H](N)C1.Cl

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 2/20 0.43
ALDH1A1 P00352 4/20 0.41
PPM1B O75688 1/20 0.41
PTPN1 P18031 1/20 0.41
PPP1CC P36873 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALOX15 P16050 1/20 0.39
SMYD3 Q9H7B4 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL1989031 1.00 MEN1 (0.44) MEN1KMT2AMAPTALDH1A1PPM1B
Hydrochloric Acid SCHEMBL3090994 1.00 MEN1 (0.44) MEN1KMT2AMAPTALDH1A1PPM1B
SCHEMBL3099571 0.98 MEN1 (0.45) MEN1KMT2AMAPTALDH1A1PPM1B
SCHEMBL13149938 0.98 MEN1 (0.45) MEN1KMT2AMAPTALDH1A1PPM1B
SCHEMBL3099567 0.98 MEN1 (0.45) MEN1KMT2AMAPTALDH1A1PPM1B
SCHEMBL24593361 0.96 MEN1 (0.44) MEN1KMT2AMAPTALDH1A1PPM1B
Hydrochloric Acid SCHEMBL9470146 0.91 MEN1 (0.39) MEN1KMT2AMAPTALDH1A1PPM1B
SCHEMBL9470148 0.89 MEN1 (0.40) MEN1KMT2AMAPTALDH1A1PPM1B
SCHEMBL30278792 0.85 MEN1 (0.45) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL6736374 0.84 MAPT (0.50) MEN1KMT2AMAPTALDH1A1PPM1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10738040-B2 Compounds, compositions, and methods for increasing CFTR activity PROTEOSTASIS THERAPEUTICS, INC. (US) 2020-08-11 US disclosed
EP-3157917-B1 COMPOUNDS, COMPOSITIONS AND METHODS OF INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS INC (US) 2020-03-18 EP disclosed
US-20190308960-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. 2019-10-10 US disclosed
US-10392378-B2 Derivatives of 5-phenyl- or 5-heteroarylathiazol-2-carboxylic amide useful for the treatment of inter alia cystic fibrosis PROTEOSTASIS THERAPEUTICS, INC. (US) 2019-08-27 US disclosed
US-20190022071-A1 METHODS OF TREATING PULMONARY DISEASES AND DISORDERS PROTEOSTASIS THERAPEUTICS, INC. 2019-01-24 US disclosed
US-10174014-B2 Compounds, compositions, and methods for increasing CFTR activity PROTEOSTASIS THERAPEUTICS, INC. (US) 2019-01-08 US disclosed
US-10065941-B2 Aminotriazine derivative and pharmaceutical composition comprising the same SHIONOGI & CO., LTD. (JP) 2018-09-04 US disclosed
US-20180147187-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. (US) 2018-05-31 US disclosed
EP-3009432-B1 AMINO-TRIAZINE DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING SAID DERIVATIVES SHIONOGI & CO (JP) 2018-04-25 EP disclosed
US-20170369482-A1 DERIVATIVES OF 5-PHENYL- OR 5-HETEROARYLATHIAZOL-2-CARBOXYLIC AMIDE USEFUL FOR THE TREATMENT OF INTER ALIA CYSTIC FIBROSIS PROTEOSTASIS THERAPEUTICS, INC. 2017-12-28 US disclosed
US-20170233379-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. 2017-08-17 US disclosed
US-9732060-B2 Aminotriazine derivative and pharmaceutical composition comprising the same SHIONOGI & CO., LTD. (JP) 2017-08-15 US disclosed
EP-3157917-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF INCREASING CFTR ACTIVITY Proteostasis Therapeutics, Inc. (US) 2017-04-26 EP disclosed
EP-2872502-B1 NOVEL INDAZOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2016-08-24 EP disclosed
US-20160200741-A1 Novel indazoles for the treatment and prophylaxis of respiratory syncytial virus infection HOFFMANN-LA ROCHE INC. (US) 2016-07-14 US disclosed
US-20160115151-A1 AMINOTRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SHIONOGI & CO., LTD. (JP) 2016-04-28 US disclosed
EP-3009432-A1 AMINO-TRIAZINE DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING SAID DERIVATIVES Shionogi & Co., Ltd. (JP) 2016-04-20 EP disclosed
WO-2015196071-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. (US) 2015-12-23 WO disclosed
US-9206191-B2 Indazoles for the treatment and prophylaxis of respiratory syncytial virus infection HOFFMANN-LA ROCHE INC. (US) 2015-12-08 US disclosed
US-20150158879-A1 Novel indazoles for the treatment and prophylaxis of respiratory syncytial virus infection HOFFMANN-LA ROCHE INC. (US) 2015-06-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190308960-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY CFTR, ABCB4, SCNN1B MEN1 4749/4885KMT2A 4776/4885MAPT 4505/4885
US-10392378-B2 Derivatives of 5-phenyl- or 5-heteroarylathiazol-2-carboxylic amide useful for the treatment of inter alia cystic fibrosis CFTR, ABCC5, ABCB1 MEN1 4884/4885KMT2A 3408/4885MAPT 4835/4885
US-10065941-B2 Aminotriazine derivative and pharmaceutical composition comprising the same P2RX3, P2RX2, P2RX1 MEN1 4282/4885KMT2A 1719/4885MAPT 4236/4885
US-20170369482-A1 DERIVATIVES OF 5-PHENYL- OR 5-HETEROARYLATHIAZOL-2-CARBOXYLIC AMIDE USEFUL FOR THE TREATMENT OF INTER ALIA CYSTIC FIBROSIS CFTR, ABCC5, ABCB1 MEN1 4884/4885KMT2A 3408/4885MAPT 4835/4885
US-20150158879-A1 Novel indazoles for the treatment and prophylaxis of respiratory syncytial virus infection ADORA3, ADORA1, BRS3 MEN1 2257/4885KMT2A 2954/4885MAPT 4671/4885
US-10174014-B2 Compounds, compositions, and methods for increasing CFTR activity CFTR, ABCB4, SCNN1B MEN1 4749/4885KMT2A 4776/4885MAPT 4505/4885
US-20170233379-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY CFTR, ABCB4, SCNN1B MEN1 4749/4885KMT2A 4776/4885MAPT 4505/4885
US-20160200741-A1 Novel indazoles for the treatment and prophylaxis of respiratory syncytial virus infection ADORA3, ADORA1, BRS3 MEN1 2257/4885KMT2A 2954/4885MAPT 4671/4885
US-20160115151-A1 AMINOTRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME P2RX3, P2RX2, P2RX1 MEN1 4298/4885KMT2A 1709/4885MAPT 4247/4885
US-20190022071-A1 METHODS OF TREATING PULMONARY DISEASES AND DISORDERS SMPD1, ELANE, SMPD2 MEN1 3829/4885KMT2A 4017/4885MAPT 4158/4885
US-20180147187-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY CFTR, ABCC2, ABCB4 MEN1 4793/4885KMT2A 4796/4885MAPT 4506/4885
US-10738040-B2 Compounds, compositions, and methods for increasing CFTR activity CFTR, ABCB4, SCNN1B MEN1 4749/4885KMT2A 4776/4885MAPT 4505/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.