SCHEMBL368040

SCHEMBL368040

COc1ccc(S([NH])(=O)=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.67
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
GAA P10253 2/20 0.55
MMP2 P08253 2/20 0.55
MMP8 P22894 2/20 0.55
MMP13 P45452 2/20 0.55
MMP1 P03956 1/20 0.55
MMP9 P14780 1/20 0.55
ALDH1A1 P00352 2/20 0.55
NPC1 O15118 1/20 0.53
PKLR P30613 1/20 0.53
RAB9A P51151 1/20 0.53
CA9 Q16790 2/20 0.52
CA12 O43570 1/20 0.52
CA7 P43166 1/20 0.52
CA14 Q9ULX7 1/20 0.52
PTGS2 P35354 1/20 0.50
F2 P00734 1/20 0.50
PRSS1 P07477 1/20 0.50

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
SCHEMBL7238460 0.94 PKM (0.59) PKMCA1CA2GAAMMP2
SCHEMBL286762 0.81 PKM (0.67) PKMCA1CA2GAAMMP2
SCHEMBL4541426 0.80 PKM (0.73) PKMCA1CA2GAAMMP2
SCHEMBL835692 0.80 PKM (1.00) PKMCA1CA2GAAMMP2
SCHEMBL13074716 0.80 PKM (1.00) PKMCA1CA2GAAMMP2
SCHEMBL8427813 0.80 PKM (0.73) PKMCA1CA2GAAMMP2
SCHEMBL14486413 0.80 PKM (1.00) PKMCA1CA2GAAMMP2
Ammonia Solution, Strong SCHEMBL25386463 0.79 PKM (0.64) PKMCA1CA2GAAMMP2
Potassium Ion SCHEMBL11343553 0.79 PKM (0.64) PKMCA1CA2GAAMMP2
SCHEMBL8627561 0.79 PKM (0.64) PKMCA1CA2GAAMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10646482-B2 Nitrogen-containing heteroaryl compounds and methods of use thereof FIBROGEN, INC. (US) 2020-05-12 US claimed
US-20190240213-A1 NOVEL NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF FIBROGEN, INC. 2019-08-08 US claimed
US-10092558-B2 Nitrogen-containing heteroaryl compounds and methods of use thereof FIBROGEN, INC. (US) 2018-10-09 US claimed
US-20170035747-A1 NOVEL NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF FIBROGEN, INC. 2017-02-09 US claimed
US-20160317523-A1 Treatment of Retinopathy of Prematurity (ROP) THE CLEVELAND CLINIC FOUNDATION 2016-11-03 US claimed
WO-2015095757-A1 TREATMENT OF RETINOPATHY OF PREMATURITY (ROP) THE CLEVELAND CLINIC FOUNDATION (US) 2015-06-25 WO claimed
US-8916585-B2 Nitrogen-containing heteroaryl compounds and methods of use thereof FIBROGEN, INC. (US) 2014-12-23 US claimed
US-8765780-B2 Alicyclic carboxylic acid derivatives of benzomorphans and related scaffolds, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-01 US claimed
US-20130178417-A1 NOVEL NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF FIBROGEN, INC. 2013-07-11 US claimed
WO-2012009258-A2 PEPTIDOMIMETIC GALANIN RECEPTOR MODULATORS ROBERTS EDWARD (US) 2012-01-19 WO claimed
US-20020065271-A1 Novel sulfonamide derivatives as inhibitors of bone resorption and as inhibitors of cell adhesion PEYMAN ANUSCHIRWAN (DE) 2002-05-30 US claimed
WO-2002008251-A2 PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS CORVAS INTERNATIONAL, INC. (US) 2002-01-31 WO claimed
EP-1150979-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-11-07 EP claimed
US-6313119-B1 VITRONECTIN RECEPTOR ANTAGONISTS ADVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-11-06 US claimed
US-20010031781-A1 Heteroaryl amidines, methylamidines and guanidines and use thereof as protease inhibitors ILLIG CARL R (US) 2001-10-18 US claimed
US-6291514-B1 Heteroaryl amidines, methylamidines and guanidines, preparation thereof, and use thereof as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-09-18 US claimed
EP-1118322-A1 DRUGS FOR IMPROVING VESICAL EXCRETORY STRENGTH Takeda Chemical Industries, Ltd. (JP) 2001-07-25 EP claimed
EP-1049677-A1 NOVEL SULFONAMIDE DERIVATIVES AS INHIBITORS OF BONE RESORPTION AND AS INHIBITORS OF CELL ADHESION Aventis Pharma Deutschland GmbH (DE) 2000-11-08 EP claimed
WO-2000047578-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-08-17 WO claimed
WO-1999037621-A1 NOVEL SULFONAMIDE DERIVATIVES AS INHIBITORS OF BONE RESORPTION AND AS INHIBITORS OF CELL ADHESION AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-07-29 WO claimed

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

For each of this compound's patents that has machine-readable text (8 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-20130178417-A1 NOVEL NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, EGLN3, EGLN2 PKM 1964/4885CA1 2063/4885CA2 2173/4885
US-20170035747-A1 NOVEL NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, EGLN3, EGLN2 PKM 1964/4885CA1 2063/4885CA2 2173/4885
US-10646482-B2 Nitrogen-containing heteroaryl compounds and methods of use thereof HIF1AN, HIF1A, EGLN2 PKM 1865/4885CA1 1515/4885CA2 1732/4885
US-20190240213-A1 NOVEL NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, EGLN3, EGLN2 PKM 1964/4885CA1 2063/4885CA2 2173/4885
US-10092558-B2 Nitrogen-containing heteroaryl compounds and methods of use thereof HIF1AN, HIF1A, EGLN2 PKM 1865/4885CA1 1515/4885CA2 1732/4885
US-20010031781-A1 Heteroaryl amidines, methylamidines and guanidines and use thereof as protease inhibitors SERPINE1, PRSS3, PRSS2 PKM 3196/4885CA1 2080/4885CA2 2597/4885
US-20020065271-A1 Novel sulfonamide derivatives as inhibitors of bone resorption and as inhibitors of cell adhesion SOST, SELPLG, BST2 PKM 3805/4885CA1 957/4885CA2 667/4885
US-20160317523-A1 Treatment of Retinopathy of Prematurity (ROP) VEGFA, ALDH1A2, PGF PKM 1719/4885CA1 2140/4885CA2 200/4885

“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.