Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3533549

Cl.NS(=O)(=O)c1ccc(Br)cc1Cl

nearest known ligand 0.50

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
CA2 known ✓ P00918 14/20 0.50
PTGS2 known ✓ P35354 1/20 0.43
HSD11B1 known ✓ P28845 1/20 0.43
CA1 P00915 12/20 0.50
CA9 Q16790 10/20 0.50
CA7 P43166 5/20 0.50
CA14 Q9ULX7 5/20 0.50
CA12 O43570 8/20 0.47
CA4 P22748 5/20 0.47
CA6 P23280 5/20 0.47
CA5A P35218 4/20 0.47
CA5B Q9Y2D0 4/20 0.47
CA3 P07451 3/20 0.47
ALOX5 P09917 1/20 0.43
CA13 Q8N1Q1 3/20 0.42
CISD1 Q9NZ45 1/20 0.42
LMNA P02545 1/20 0.41
CYP2C9 P11712 1/20 0.41
POLB P06746 1/20 0.41
APEX1 P27695 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
SCHEMBL841673 0.98 CA2 (0.51) CA2CA1CA9CA7CA14
SCHEMBL2240806 0.82 CA2 (0.48) CA2CA1CA9CA7CA14
Hydrochloric Acid SCHEMBL3534066 0.80 CA12 (0.47) CA2CA1CA9CA7CA14
SCHEMBL29209807 0.79 HSD11B1 (0.45) CA2CA1CA9CA7CA14
SCHEMBL16507 0.79 TRPV4 (0.53) CA2CA1CA9CA7CA14
SCHEMBL29430629 0.78 HSD11B1 (0.48) CA2CA1CA9CA7CA14
SCHEMBL1581780 0.78 HSD11B1 (0.48) CA2CA1CA9CA7CA14
SCHEMBL11650766 0.78 HSD11B1 (0.48) CA2CA1CA9CA7CA14
SCHEMBL2188372 0.78 CA12 (0.48) CA2CA1CA9CA7CA14
SCHEMBL29587590 0.77 CA1 (0.53) CA2CA1CA9CA7CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101242833-B Pyrrolopyridine derivatives and use of same as PPAR receptor modulators FOURNIER LAB SA 2012-06-27 CN disclosed
US-7728002-B2 Use of pyrrolopyridine compounds for activating PPAR receptors and treatment of conditions involving such receptors LABORATOIRES FOURNIER S.A. (FR) 2010-06-01 US disclosed
US-20090239856-A1 Use of Pyrrolopyridine Compounds for Activating PPAR Receptors and Treatment of Conditions Involving Such Receptors LABORATOIRES FOURNIER S.A. (FR) 2009-09-24 US disclosed
US-7557122-B2 Pyrrolopyridine compounds, method of making them and uses thereof LABORATOIRES FOURNIER S.A. (FR) 2009-07-07 US disclosed
US-20080200495-A1 Pyrrolopyridine Compounds, Method of Making Them and Uses Thereof LABORATOIRES FOURNIER S.A. (FR) 2008-08-21 US disclosed
CN-101242833-A Pyrrolopyridine derivatives and use of same as PPAR receptor modulators FOURNIER LAB SA (FR) 2008-08-13 CN 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 (2 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-20090239856-A1 Use of Pyrrolopyridine Compounds for Activating PPAR Receptors and Treatment of Conditions Involving Such Receptors PPARD, PPARA, PPARG CA2 3289/4885PTGS2 645/4885HSD11B1 2020/4885
US-20080200495-A1 Pyrrolopyridine Compounds, Method of Making Them and Uses Thereof LIPG, PCSK9, PNLIP CA2 3468/4885PTGS2 345/4885HSD11B1 1165/4885

“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.