Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1596038

COC(=O)C(N)Cc1ccc(NS(C)(=O)=O)cc1.Cl

nearest known ligand 0.55

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 20)

geneUniProtsupporting neighboursconfidence
▸ GLA known ✓ P06280 1/20 0.42
▸ ADRB2 known ✓ P07550 1/20 0.42
▸ ADRB1 known ✓ P08588 1/20 0.42
▸ ADRB3 known ✓ P13945 1/20 0.42
▸ CA2 known ✓ P00918 1/20 0.41
▸ PTPRB P23467 1/20 0.55
▸ HPGD P15428 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ LMNA P02545 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ RECQL P46063 1/20 0.48
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ EPHX2 P34913 1/20 0.41

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 SCHEMBL1596040 1.00 PTPRB (0.55) PTPRBHPGDALDH1A1LMNASMN1; SMN2
SCHEMBL14338181 0.99 PTPRB (0.56) PTPRBHPGDALDH1A1LMNASMN1; SMN2
SCHEMBL1596041 0.99 PTPRB (0.56) PTPRBHPGDALDH1A1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL7744800 0.89 HPGD (0.56) PTPRBHPGDALDH1A1LMNASMN1; SMN2
SCHEMBL25095078 0.87 HPGD (0.57) PTPRBHPGDALDH1A1LMNASMN1; SMN2
SCHEMBL1595806 0.84 SLC7A5 (0.56) PTPRBHPGDALDH1A1LMNASMN1; SMN2
SCHEMBL1595807 0.84 SLC7A5 (0.56) PTPRBHPGDALDH1A1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL7902859 0.82 ALDH1A1 (0.51) PTPRBALDH1A1
SCHEMBL7902861 0.80 ALDH1A1 (0.49) PTPRBALDH1A1
SCHEMBL12727039 0.80 PTPRB (0.55) PTPRBHPGDALDH1A1LMNASMN1; SMN2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919515-B2 3-phenylpropionic acid derivatives ADAMED SP. Z O.O. (PL) 2011-04-05 — — US disclosed
US-7629370-B2 3-phenylpropionic acid derivatives ADAMED SP. Z O.O. (PL) 2009-12-08 — — US disclosed
EP-1874745-A1 NEW 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR- GAMMA RECEPTOR LIGANDS Adamed SP. Z O.O. (PL) 2008-01-09 — — EP disclosed
CN-101098862-A New 3-phenylpropionic acid derivatives and their use as ppar-gamma rezeptor liganden ADAMED SP ZOO (PL) 2008-01-02 — — CN disclosed
US-7312338-B2 3-phenylpropionic acid derivatives ADAMED, SP. Z.O.O. (PL) 2007-12-25 — — US disclosed
US-7309791-B2 3-phenylpropionic acid derivatives ADAMED SP. Z.O.O (PL) 2007-12-18 — — US disclosed
CN-101084203-A Novel 3-phenylpropionic acid derivatives for treating diabetes ADAMED SP ZOO (PL) 2007-12-05 — — CN disclosed
US-20070219259-A1 NEW 3-PHENYLPROPIONIC ACID DERIVATIVES ADAMED SP. Z O.O. (PL) 2007-09-20 — — US disclosed
EP-1833805-A1 NEW 3-PHENYLPROPIONIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES Adamed SP. Z O.O. (PL) 2007-09-19 — — EP disclosed
US-20070161799-A1 3-Phenylpropionic acid derivatives ADAMED, SP. Z O.O. (PL) 2007-07-12 — — US disclosed
US-7220766-B2 3-phenylpropionic acid derivatives ADAMED, SP. Z.O.O. (PL) 2007-05-22 — — US disclosed
US-20070088061-A1 New 3-phenylpropionic acid derivatives ADAMED, SP. Z.O.O. (PL) 2007-04-19 — — US disclosed
WO-2006077206-A1 NEW 3-PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR- GAMMA REZEPTOR LIGANDEN ADAMED SP. Z O.O. (PL) 2006-07-27 — — WO disclosed
WO-2006077217-A1 NEW 3-PHENYLPROPIONIC ACID DERIVATIVES ADAMED SP. Z O.O. (PL) 2006-07-27 — — WO disclosed
US-20060160870-A1 3-phenylpropionic acid derivatives ADAMED, SP. Z.O.O. (PL) 2006-07-20 — — US disclosed
US-20060160868-A1 3-Phenylpropionic acid derivatives ADAMED, SP. Z.O.O. (PL) 2006-07-20 — — US disclosed
WO-2006067086-A1 NEW 3-PHENYLPROPIONIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES ADAMED SP. Z O.O. (PL) 2006-06-29 — — WO 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-20070088061-A1 New 3-phenylpropionic acid derivatives PPARA, PPARD, PPARG GLA 3928/4885ADRB2 71/4885ADRB1 25/4885
US-20070161799-A1 3-Phenylpropionic acid derivatives PAOX, PPARA, PPARG GLA 2167/4885ADRB2 170/4885ADRB1 164/4885
US-20060160870-A1 3-phenylpropionic acid derivatives PPARA, PPARG, PPARD GLA 3672/4885ADRB2 48/4885ADRB1 19/4885
US-20060160868-A1 3-Phenylpropionic acid derivatives PPARA, PPARG, PPARD GLA 3140/4885ADRB2 39/4885ADRB1 17/4885
US-20070219259-A1 NEW 3-PHENYLPROPIONIC ACID DERIVATIVES PPARA, PPARD, PPARG GLA 3862/4885ADRB2 64/4885ADRB1 23/4885

“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.

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