SCHEMBL355006

SCHEMBL355006

CS(=O)(=O)c1cccnc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.63
PTGS2 P35354 7/20 0.56
PTGS1 P23219 3/20 0.47
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
MAPT P10636 1/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
GLO1 Q04760 1/20 0.42
SLC40A1 Q9NP59 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2A6 P11509 1/20 0.42

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
SCHEMBL29497666 1.00 NAPRT (0.63) NAPRTPTGS2PTGS1KEAP1NFE2L2
Hydrochloric Acid SCHEMBL27577370 0.98 NAPRT (0.61) NAPRTPTGS2PTGS1KEAP1NFE2L2
Hydrazine SCHEMBL6187793 0.96 NAPRT (0.59) NAPRTPTGS2PTGS1KEAP1NFE2L2
Acetic Acid SCHEMBL27925923 0.90 NAPRT (0.58) NAPRTPTGS2PTGS1ALDH1A1CYP3A4
Phenol SCHEMBL27849941 0.87 NAPRT (0.55) NAPRTPTGS2PTGS1MAPTALDH1A1
SCHEMBL15695400 0.83 NAPRT (0.59) NAPRTPTGS2KEAP1NFE2L2CA12
Ethoxycarbonyl Group SCHEMBL28366502 0.82 NAPRT (0.45) NAPRTPTGS2PTGS1KEAP1NFE2L2
SCHEMBL24995343 0.81 NAPRT (0.56) NAPRTPTGS2KEAP1NFE2L2CA12
SCHEMBL9232776 0.81 NAPRT (0.68) NAPRTPTGS2KEAP1NFE2L2CA12
SCHEMBL31404866 0.81 NAPRT (0.68) NAPRTPTGS2KEAP1NFE2L2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240294522-A1 3-SUBSTITUTED 1H-PYRROLO[2,3-B]PYRIDINE AS GRK5 MODULATORS LEAD DISCOVERY CENTER GMBH (DE) 2024-09-05 US claimed
CN-115073442-A Disulfide bond-containing compound, preparation method thereof, pharmaceutical composition and application 中国医学科学院药物研究所 2022-09-20 CN claimed
EP-3713930-A1 SULFONE PYRIDINE ALKYL AMIDE-SUBSTITUTED HETEROARYL COMPOUNDS Bristol-Myers Squibb Company (US) 2020-09-30 EP claimed
WO-2019103952-A1 SULFONE PYRIDINE ALKYL AMIDE-SUBSTITUTED HETEROARYL COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-05-31 WO claimed
CN-107674098-A One kind is containing aryl boric acid99mTc complexs and its medicine box formula and application 方纬 2018-02-09 CN claimed
CN-106928247-A Spiral shell oxindole compounds and its purposes as therapeutic agent 泽农医药公司 2017-07-07 CN claimed
CN-102464652-B Imidazole derivative and preparation method as well application BEIJING ORBIEPHARM CO LTD 2013-08-28 CN claimed
CN-102970869-A Indoles GLAXOSMITHKLINE LLC 2013-03-13 CN claimed
EP-1507776-B1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS AMGEN INC (US) 2007-02-28 EP claimed
US-20070032518-A1 Compounds and methods of use AMGEN INC. (US) 2007-02-08 US claimed
US-7119111-B2 2-oxo-1,3,4-trihydroquinazolinyl derivatives and methods of use AMGEN, INC. (US) 2006-10-10 US claimed
EP-1575947-A1 2-OXOPYRIDIN-3-YL THIA(DI)AZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CELL PROLIFERATION AND APOPTOSIS RELATED DISEASES Amgen Inc. (US) 2005-09-21 EP claimed
EP-1507776-A1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS Amgen Inc. (US) 2005-02-23 EP claimed
EP-1478645-A2 QUINOLINONE DERIVATIVES FOR TREATING CELL PROLIFERATION RELATED DISORDERS Amgen Inc. (US) 2004-11-24 EP claimed
US-6822097-B1 THIAZOLE-SUBSTITUTED QUINOLINE DERIVATIVES; ANTICARCINOGENIC AGENTS, ANTISTROKE AGENTS; APOPTOSIS AND CELL PROLIFERATION TREATMENT; NERVOUS SYSTEM DISORDERS AMGEN, INC. 2004-11-23 US claimed
US-20040147561-A1 Pyrid-2-one derivatives and methods of use SYNGENTA CROP PROTECTION AG (CH) 2004-07-29 US claimed
WO-2004060890-A1 2-OXOPYRIDIN-3-YL THIA (DI) AZOLE DERIVATES FOR USE IN THE TREATMENT OF CELL PROLIFERATION AND APOPTOSIS RELATED DISEASES AMGEN INC. (US) 2004-07-22 WO claimed
US-20030229068-A1 2-oxo-1,3,4-trihydroquinazolinyl derivatives and methods of use AMGEN INC. 2003-12-11 US claimed
WO-2003101985-A1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS AMGEN INC. (US) 2003-12-11 WO claimed
WO-2003066630-A2 QUINOLINONE DERIVATIVES FOR TREATING CELL PROLIFERATION RELATED DISORDERS AMGEN INC. (US) 2003-08-14 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 (4 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-20070032518-A1 Compounds and methods of use BAX, BAD, CASP3 NAPRT 410/4885PTGS2 275/4885PTGS1 101/4885
US-20030229068-A1 2-oxo-1,3,4-trihydroquinazolinyl derivatives and methods of use CASP3, BAX, BAD NAPRT 1246/4885PTGS2 76/4885PTGS1 40/4885
US-20040147561-A1 Pyrid-2-one derivatives and methods of use PLPBP, PNPO, PDXK NAPRT 132/4885PTGS2 112/4885PTGS1 93/4885
US-20240294522-A1 3-SUBSTITUTED 1H-PYRROLO[2,3-B]PYRIDINE AS GRK5 MODULATORS GRK5, GRK3, GRK4 NAPRT 2031/4885PTGS2 221/4885PTGS1 116/4885

“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.