SCHEMBL1196801

SCHEMBL1196801

O=S1(=O)[C]=Cc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.39
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
NOX1 Q9Y5S8 1/20 0.34
CA12 O43570 3/20 0.31
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
CA4 P22748 3/20 0.31
CA7 P43166 3/20 0.31
CA9 Q16790 3/20 0.31
ELANE P08246 1/20 0.31
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
BCHE P06276 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31

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
SCHEMBL18491389 0.73
SCHEMBL7016048 0.72 GPR3 (0.32) GPR3ELANE
SCHEMBL3714644 0.69 CA12 (0.35) GPR3KMT2AMEN1NOX1CA12
SCHEMBL9782263 0.66 GPR3 (0.31) GPR3
Methane SCHEMBL28249298 0.66 GPR3 (0.67) GPR3KMT2AMEN1NOX1CA12
SCHEMBL2520640 0.64 MEN1 (0.34) KMT2AMEN1NOX1CA12CA1
SCHEMBL2376272 0.63 GPR3 (0.42) GPR3KMT2AMEN1NOX1CA12
SCHEMBL11036902 0.63 GPR3 (0.55) GPR3KMT2AMEN1NOX1CA12
SCHEMBL88079 0.62
SCHEMBL30951022 0.62 GPR3 (0.71) GPR3KMT2AMEN1NOX1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230091047-A1 FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES JANSSEN PHARMACEUTICA NV (BE) 2023-03-23 US claimed
EP-3938362-A1 FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2022-01-19 EP claimed
CN-113166110-A 2-aminopyrimidine compounds and application thereof 暨南大学 2021-07-23 CN claimed
WO-2020182990-A1 FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2020-09-17 WO claimed
EP-1737815-B1 THIO-SUBSTITUTED BIARYL-METHANESULFINYL DERIVATIVES CEPHALON INC (US) 2016-12-21 EP claimed
US-7981907-B2 Thio-substituted biarylmethanesulfinyl derivatives CEPHALON, INC. (US) 2011-07-19 US claimed
US-20090062284-A1 Thio-Substituted Biarylmethanesulfinyl Derivatives CEPHALON, INC. (US) 2009-03-05 US claimed
US-7449481-B2 e.g. 2-[2-(5-chloro-benzo[b]thiophen-2-yl)-phenylmethanesulfinyl]-acetamide; autoimmune disorders, antidepressant; narcolepsy, Parkinson's, Alzheimer's disease; attention deficit hyperactivity disorder; sleep disorder, fatigue CEPHALON, INC. (US) 2008-11-11 US claimed
US-20080275066-A1 Condensed Thiophene Derivatives and Their Use as Cyclic Glp-1 Agonists NOVO NORDISK A/S (DK) 2008-11-06 US claimed
US-20080249075-A1 C11 Modified Retrosteroids as Progesterone Receptor Modulator Compounds SOLVAY PHARMACEUTICALS GMBH (DE) 2008-10-09 US claimed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 US claimed
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US claimed
WO-2003018021-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS AMGEN INC. (US) 2003-03-06 WO claimed
JP-2002539201-A 2002-11-19 JP claimed
EP-1161422-A1 AMINE DERIVATIVES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-12 EP claimed
WO-2000055144-A1 AMINE DERIVATIVES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 WO claimed
US-5461072-A Use of aryl hydroxyurea compounds for the treatment of atherosclerosis BURROUGHS WELLCOME CO. (US) 1995-10-24 US claimed
EP-0543855-A1 USE OF ARYL HYDROXYUREA COMPOUNDS FOR THE TREATMENT OF ATHEROSCLEROSIS THE WELLCOME FOUNDATION LIMITED (GB) 1993-06-02 EP claimed
WO-1992003130-A1 USE OF ARYL HYDROXYUREA COMPOUNDS FOR THE TREATMENT OF ATHEROSCLEROSIS THE WELLCOME FOUNDATION LIMITED (GB) 1992-03-05 WO claimed
WO-1990001929-A1 NEW MEDICAL USE THE WELLCOME FOUNDATION LIMITED (GB) 1990-03-08 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 (6 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-20230091047-A1 FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES HAVCR2, HCCS, TYMP GPR3 2278/4885KMT2A 3564/4885MEN1 4240/4885
US-20090062284-A1 Thio-Substituted Biarylmethanesulfinyl Derivatives AANAT, SNCA, NAT1 GPR3 894/4885KMT2A 630/4885MEN1 4433/4885
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use DPYD, TYMP, TPMT GPR3 1787/4885KMT2A 2974/4885MEN1 1164/4885
US-20080275066-A1 Condensed Thiophene Derivatives and Their Use as Cyclic Glp-1 Agonists GLP1R, GIPR, GCGR GPR3 65/4885KMT2A 4286/4885MEN1 1203/4885
US-20080249075-A1 C11 Modified Retrosteroids as Progesterone Receptor Modulator Compounds HSD17B11, CYP19A1, ESRRA GPR3 96/4885KMT2A 2742/4885MEN1 639/4885
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ GPR3 3541/4885KMT2A 3705/4885MEN1 4023/4885

“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.