SCHEMBL464779

SCHEMBL464779

O=S(=O)(Cl)c1cccc2c1OCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.42
CHRM1 P11229 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
MAOB P27338 2/20 0.40
NAMPT P43490 3/20 0.37
PTGS1 P23219 2/20 0.36
PTGS2 P35354 2/20 0.36
BAD Q92934 1/20 0.36
PKLR P30613 1/20 0.35
FGFR4 P22455 1/20 0.35
POLB P06746 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
TXNRD1 Q16881 1/20 0.34
TXNRD3 Q86VQ6 1/20 0.34
TXNRD2 Q9NNW7 1/20 0.34
EED O75530 1/20 0.34

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
SCHEMBL1156199 0.85 ACLY (0.44) PTGS2
SCHEMBL38653543 0.82 ACLY (0.40) PKMMAOBPTGS2PKLR
SCHEMBL4749803 0.81 MAOB (0.43) GSK3BCHRM1ABCG2PKMTSHR
SCHEMBL464734 0.81 ABCG2 (0.41) GSK3BCHRM1ABCG2PKMTSHR
SCHEMBL7696302 0.73 ABCG2 (0.70) ABCG2PKMTSHRPTGS2POLB
SCHEMBL352307 0.70 ABCG2 (0.50) GSK3BABCG2PKMTSHRMAOB
SCHEMBL10589684 0.70 ABCG2 (0.50) GSK3BABCG2PKMTSHRMAOB
SCHEMBL1145960 0.70 ABCG2 (0.50) GSK3BABCG2PKMTSHRMAOB
SCHEMBL10589688 0.70 ABCG2 (0.50) GSK3BABCG2PKMTSHRMAOB
SCHEMBL3123877 0.69 SLC9A1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025036382-A1 SULFONAMIDE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海复宏汉霖生物医药有限公司 2025-02-20 WO disclosed
WO-2024217519-A1 PYRROLE SULFONYL DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 天地恒一制药股份有限公司 2024-10-24 WO disclosed
CN-117263940-A FGFR inhibitor, preparation method thereof, pharmaceutical composition and application 中国药科大学 2023-12-22 CN disclosed
EP-3890715-A1 THERAPEUTICS TARGETING MUTANT ADENOMATOUS POLYPOSIS COLI (APC) FOR THE TREATMENT OF CANCER The Board Of Regents Of The University Of Texas System (US) 2021-10-13 EP disclosed
WO-2020117972-A1 THERAPEUTICS TARGETING MUTANT ADENOMATOUS POLYPOSIS COLI (APC) FOR THE TREATMENT OF CANCER THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-06-11 WO disclosed
EP-2970189-B1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS INC (US) 2020-05-06 EP disclosed
WO-2014139325-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. (US) 2014-09-18 WO disclosed
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
EP-1686113-B1 Inhibitors of aspartyl protease VERTEX PHARMA (US) 2011-11-23 EP disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 US disclosed
EP-1194404-B1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMA (US) 2006-05-03 EP disclosed
US-6878728-B1 Inhibitors of aspartyl protease VERTEX PHARMACEUTICAL INCORPORATED (US) 2005-04-12 US disclosed
US-20040122000-A1 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED. 2004-06-24 US disclosed
EP-1194404-A1 INHIBITORS OF ASPARTYL PROTEASE Vertex Pharmaceuticals Incorporated (US) 2002-04-10 EP disclosed
US-6342504-B1 PEPTIDES AS ANTITHROMBINS AND ANTICOAGULANTS CORVAS INTERNATIONAL, INC. 2002-01-29 US disclosed
WO-2000076961-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2000-12-21 WO disclosed
WO-1997046207-A2 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1997-12-11 WO disclosed
EP-0099339-B1 CONDENSED N-PHENYLSULFONYL-N'-PYRIMIDINYL AND TRIAZINYL UREA CIBA-GEIGY AG (CH) 1987-01-07 EP disclosed
US-4634465-A PRE- AND POSTEMERGENCE HERBICIDES CIBA-GEIGY CORPORATION (US) 1987-01-06 US disclosed
EP-0099339-A2 Condensed N-phenylsulfonyl-N'-pyrimidinyl and triazinyl urea CIBA-GEIGY AG (CH) 1984-01-25 EP 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-20040122000-A1 Inhibitors of aspartyl protease SPINT2, DNPEP, PRSS1 GSK3B 2515/4885CHRM1 4864/4885ABCG2 328/4885
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE SPINT2, DNPEP, PRSS1 GSK3B 2515/4885CHRM1 4864/4885ABCG2 328/4885

“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.