SCHEMBL4833629

SCHEMBL4833629

O=S(=O)(Cl)c1cccc(Oc2ccc(Cl)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PGR P06401 11/20 0.49
TDP1 Q9NUW8 2/20 0.46
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DAGLA Q9Y4D2 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
SOS1 Q07889 1/20 0.43
NR3C1 P04150 1/20 0.43
FDFT1 P37268 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 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
SCHEMBL8853581 0.88 TDP1 (0.53) PGRTDP1HTTL3MBTL1DAGLA
SCHEMBL2837656 0.87 ALDH1A1 (0.56) PGRTDP1HTTMAOBSOS1
SCHEMBL14572635 0.86 TERT (0.46) PGRTDP1HTTL3MBTL1FDFT1
SCHEMBL14030890 0.85 PTGS1 (0.51) PGRTDP1HTTL3MBTL1
SCHEMBL14572495 0.85 KMO (0.54) PGRSOS1FDFT1
SCHEMBL3671487 0.85 HTT (0.58) PGRTDP1HTTL3MBTL1DAGLA
SCHEMBL14572646 0.85 HTT (0.62) PGRTDP1HTTL3MBTL1SOS1
SCHEMBL14257046 0.85 SOS1 (0.50) PGRTDP1HTTL3MBTL1SOS1
SCHEMBL14572638 0.85 PGR (0.58) PGRTDP1HTTL3MBTL1
Diphenylether SCHEMBL4640253 0.82 PGR (0.64) PGRTDP1HTTDAGLASOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113563235-B Synthetic method of 3- (halogenated phenoxy) benzenesulfonyl chloride derivative 上海毕得医药科技股份有限公司 2023-04-11 CN disclosed
CN-113563235-A Synthetic method of 3- (halogenated phenoxy) benzenesulfonyl chloride derivative 上海毕得医药科技股份有限公司 2021-10-29 CN disclosed
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF ADAMS JERRY LEROY 2008-11-20 US disclosed
US-7427623-B2 4-Amino-2,3-disubstituted thieno[2,3-d]pyrimidines and pharmacetical compositions thereof SMITHKLINE BEECHAM CORPORATION (US) 2008-09-23 US disclosed
US-20070072904-A1 1-arylsulfone-substituted indole carboxylic acids or amides; peroxisome proliferator-activated receptor PPAR modulators; obesity, diabetes, cardiovascular disorders PLEXXIKON INC 2007-03-29 US disclosed
US-20070072904-A1 1-arylsulfone-substituted indole carboxylic acids or amides; peroxisome proliferator-activated receptor PPAR modulators; obesity, diabetes, cardiovascular disorders PLEXXIKON INC 2007-03-29 US disclosed
WO-2007030559-A2 1, 3-DISUBSTITUTED INDOLE DERIVATIVES FOR USE AS PPAR MODULATORS PLEXXIKON, INC. (US) 2007-03-15 WO disclosed
US-20050004142-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2005-01-06 US disclosed
EP-1425284-A2 FURO- AND THIENOPYRIMIDINE DERIVATIVES AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-06-09 EP disclosed
WO-2003022852-A2 FURO-AND THIENOPYRIMIDINE DERIVATIVES AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-03-20 WO 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 (3 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-20070072904-A1 1-arylsulfone-substituted indole carboxylic acids or amides; peroxisome proliferator-activated receptor PPAR modulators; obesity, diabetes, cardiovascular disorders PPARG, PPARA, PPARD PGR 737/4885TDP1 3027/4885HTT 1140/4885
US-20050004142-A1 Chemical compounds TIE1, KDR, TEK PGR 1159/4885TDP1 1104/4885HTT 2961/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR PGR 1480/4885TDP1 691/4885HTT 2983/4885

“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.