Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4093852

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

nearest known ligand 0.39

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 6)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
KMT2A Q03164 1/20 0.32
APLNR P35414 1/20 0.31
FFAR3 O14843 1/20 0.30

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 SCHEMBL4413762 1.00 THRB (0.32) THRBBLMPMP22KMT2AAPLNR
SCHEMBL7238753 0.98 APLNR (0.32) KMT2AAPLNRFFAR3
SCHEMBL2208896 0.98 APLNR (0.32) KMT2AAPLNRFFAR3
SCHEMBL7238749 0.98 APLNR (0.32) KMT2AAPLNRFFAR3
Cadaverine Tartrate SCHEMBL7595119 0.79 TSHR (0.33)
Hydrochloric Acid SCHEMBL4422759 0.72
Hydrochloric Acid SCHEMBL4415134 0.72
SCHEMBL11117818 0.69 GRM6 (0.36) APLNR
SCHEMBL3935289 0.69
SCHEMBL7234181 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2841066-B1 ANTI-INFLUENZA AGENT CONJUGATED TO ANTI-INFLAMMATORY AGENT ACADEMIA SINICA (TW) 2021-02-17 EP disclosed
US-10745404-B2 Process for the synthesis of E1 activating enzyme inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2020-08-18 US disclosed
EP-2540726-B1 Intermediates for the synthesis of E1 activity activating enzyme inhibitors MILLENNIUM PHARM INC (US) 2019-10-09 EP disclosed
EP-2546256-B1 Process for the synthesis of E1 activating enzyme inhibitors MILLENNIUM PHARM INC (US) 2019-10-09 EP disclosed
EP-3524272-A1 ENHANCED ANTI-INFLUENZA AGENTS CONJUGATED WITH ANTI-INFLAMMATORY ACTIVITY Academia Sinica (TW) 2019-08-14 EP disclosed
US-10130714-B2 Enhanced anti-influenza agents conjugated with anti-inflammatory activity ACADEMIA SINICA (TW) 2018-11-20 US disclosed
EP-2540727-B1 SULFAMOYLATING REAGENT MILLENNIUM PHARM INC (US) 2018-07-25 EP disclosed
US-20180079755-A1 PROCESS FOR THE SYNTHESIS OF E1 ACTIVATING ENZYME INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-03-22 US disclosed
US-9802938-B2 Sulfamoylating reagents MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-10-31 US disclosed
EP-2178880-B1 PROCESS FOR THE SYNTHESIS OF E1 ACTIVATING ENZYME INHIBITORS MILLENNIUM PHARM INC (US) 2017-10-04 EP disclosed
EP-2540727-A1 SULFAMOYLATING REAGENT MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-01-02 EP disclosed
EP-1040094-B1 SUBSTITUTED CYCLOPENTANE AND CYCLOPENTENE COMPOUNDS USEFUL AS NEURAMINIDASE INHIBITORS BIOCRYST PHARM INC (US) 2009-03-18 EP disclosed
US-20090036678-A1 Process for the synthesis of E1 activating enzyme inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-02-05 US disclosed
US-6562861-B1 (1R,3R,4R,1'S)-(-)-(1'-acetylamino-2 '-ethyl)butyl-4-(aminoimino)methylaminocyclopentan-1-carboxylic acid was prepd. and tested in vitro as neuraminidase inhibitor (IC50 less-than 1.mu.M). Bactericides or viricides BIOCRYST PHARMACEUTICALS, INC. 2003-05-13 US disclosed
US-6495711-B2 1-(TERT-BUTOXYCARBONYLAMINO)-4-METHOXYCARBONYL-CYCLOPENT-2-ENE STARTING BY REACTING 2-AZABICYCLO(2.2.1)HEPT-5-EN-3-ONE WITH AN ALCOHOL AND NONAQUEOUS ACID; CHEMICAL INTERMEDIATES TO ANTIVIRAL AGENTS AGAINST INFLUENZA VIRUS BIOCRYST PHARMACEUTICALS INC. 2002-12-17 US disclosed
US-20020052524-A1 Process for preparing (-)-(1S, 4R) N-protected 4-amino-2-cyclopentene-1-carboxylate esters BIOCRYST PHARMACEUTICALS, INC. 2002-05-02 US disclosed
EP-0434450-B1 Therapeutic nucleosides WELLCOME FOUND (GB) 1999-07-07 EP disclosed
EP-0921114-A1 Intermediates to therapeutic nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1999-06-09 EP disclosed
EP-0921121-A1 Intermediates to therapeutic nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1999-06-09 EP disclosed
EP-0434450-A2 Therapeutic nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1991-06-26 EP 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 (5 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-10130714-B2 Enhanced anti-influenza agents conjugated with anti-inflammatory activity NEU1, CTSA, CA7 THRB 4672/4885BLM 4856/4885PMP22 4633/4885
US-20020052524-A1 Process for preparing (-)-(1S, 4R) N-protected 4-amino-2-cyclopentene-1-carboxylate esters CPNE4, PYM1, CCNT1 THRB 3706/4885BLM 4159/4885PMP22 1956/4885
US-10745404-B2 Process for the synthesis of E1 activating enzyme inhibitors SULT1E1, SULT1A1, STS THRB 3471/4885BLM 3635/4885PMP22 2879/4885
US-20090036678-A1 Process for the synthesis of E1 activating enzyme inhibitors SULT1E1, SULT1A1, ALDH18A1 THRB 3508/4885BLM 3782/4885PMP22 2873/4885
US-20180079755-A1 PROCESS FOR THE SYNTHESIS OF E1 ACTIVATING ENZYME INHIBITORS SULT1E1, SULT1A1, ALDH18A1 THRB 3480/4885BLM 3729/4885PMP22 2838/4885

“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.