SCHEMBL799288

SCHEMBL799288

CC(C)c1cncc(S(C)(=O)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 2/20 0.42
PIK3CG P48736 6/20 0.36
PIK3CD O00329 2/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CB P42338 2/20 0.36
PIK3C3 Q8NEB9 1/20 0.36
PI4KA P42356 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
CCR1 P32246 1/20 0.34
ENPP2 Q13822 1/20 0.34
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 2/20 0.33
PTGS2 P35354 2/20 0.33
FABP3 P05413 1/20 0.33
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
APLNR P35414 1/20 0.33
PTGS1 P23219 1/20 0.33

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
SCHEMBL568458 0.85 GPR55 (0.40) GPR55PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL19321631 0.82 APLNR (0.53) PIK3CGPIK3CDAPLNR
SCHEMBL805076 0.82 GPR55 (0.39) GPR55PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL19756404 0.79 PIK3C3 (0.40) PIK3C3
SCHEMBL12264494 0.79 CCR1 (0.42) GPR55PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL25820334 0.78 PIK3CD (0.44) PIK3CGPIK3CDPIK3CA
SCHEMBL3466093 0.77 CCR1 (0.38) GPR55PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL3465080 0.77 CCR1 (0.38) GPR55PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL14761634 0.75 CYP11B2 (0.41) GPR55PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL725480 0.75 PRMT5 (0.34) FABP3FABP4FABP5PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11773102-B2 Heterocyclic compounds as PI3K-γ inhibitors INCYTE CORPORATION (US) 2023-10-03 US disclosed
US-11673876-B2 Substituted aminobenzyl heteroaryl compounds as EGFR and/or PI3K inhibitors MEKANISTIC THERAPEUTICS LLC (US) 2023-06-13 US disclosed
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-02 US disclosed
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-02 US disclosed
WO-2023067322-A1 TRICYCLIC GPR65 MODULATORS Pathios Therapeutics Limited (GB) 2023-04-27 WO disclosed
US-20220213054-A1 SUBSTITUTED AMINOBENZYL HETEROARYL COMPOUNDS AS EGFR AND/OR PI3K INHIBITORS MEKANISTIC THERAPEUTICS LLC (US) 2022-07-07 US disclosed
US-20220213107-A1 TERTIARY ALCOHOLS AS PI3K-y INHIBITORS INCYTE CORPORATION 2022-07-07 US disclosed
US-11352340-B2 Pyridine and pyridimine compounds as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2022-06-07 US disclosed
EP-4006034-A1 CONDENSED IMIDAZOLE DERIVATIVES SUBSTITUTED BY TERTIARY HYDROXY GROUPS AS PI3K-GAMMA INHIBITORS Incyte Corporation (US) 2022-06-01 EP disclosed
US-11225486-B2 Tertiary alcohols as PI3K-γ inhibitors INCYTE CORPORATION (US) 2022-01-18 US disclosed
US-20120202784-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-09 US disclosed
US-20120202784-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-09 US disclosed
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 US disclosed
US-20120040950-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 US disclosed
US-20120040950-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 US disclosed
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
EP-1270582-B1 TRIPHENYLPHOSPHINE DERIVATIVES, PALLADIUM OR NICKEL COMPLEXES THEREOF, AND PROCESS FOR PREPARING BIARYL DERIVATIVES MITSUBISHI RAYON CO (JP) 2006-08-30 EP disclosed
US-6693210-B2 USING PALLADIUM, NICKEL PHOSPHINE COMPLEX AS CATALYSTS MITSUBISHI RAYON CO., LTD. (JP) 2004-02-17 US disclosed
US-20030065208-A1 Using palladium, nickel phosphine complex as catalysts MITSUBISHI RAYON CO., LTD. (JP) 2003-04-03 US disclosed
EP-1270582-A1 TRIPHENYLPHOSPHINE DERIVATIVE, PRODUCTION PROCESS THEREFOR, PALLADIUM COMPLEX THEREOF, AND PROCESS FOR PRODUCING BIARYL DERIVATIVE Mitsubishi Rayon Co., Ltd. (JP) 2003-01-02 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 (12 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-11773102-B2 Heterocyclic compounds as PI3K-γ inhibitors PIK3CD, PIK3CG, PIK3R5 GPR55 1411/4885PIK3CG 2/4885PIK3CD 1/4885
US-20120040950-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 GPR55 2930/4885PIK3CG 4/4885PIK3CD 1/4885
US-11673876-B2 Substituted aminobenzyl heteroaryl compounds as EGFR and/or PI3K inhibitors EGFR, ERBB2, ERBB3 GPR55 2642/4885PIK3CG 29/4885PIK3CD 22/4885
US-20030065208-A1 Using palladium, nickel phosphine complex as catalysts PDCD1LG2, PIK3CA, PDCD1 GPR55 3583/4885PIK3CG 54/4885PIK3CD 29/4885
US-20220213054-A1 SUBSTITUTED AMINOBENZYL HETEROARYL COMPOUNDS AS EGFR AND/OR PI3K INHIBITORS EGFR, ERBB2, ERBB3 GPR55 2642/4885PIK3CG 29/4885PIK3CD 22/4885
US-11352340-B2 Pyridine and pyridimine compounds as PI3K-gamma inhibitors PIK3CG, PIK3CD, PIK3CB GPR55 2411/4885PIK3CG 1/4885PIK3CD 2/4885
US-20120202784-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CD, PIK3CA, PIK3R5 GPR55 2930/4885PIK3CG 4/4885PIK3CD 1/4885
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 GPR55 377/4885PIK3CG 1268/4885PIK3CD 625/4885
US-20220213107-A1 TERTIARY ALCOHOLS AS PI3K-y INHIBITORS PIK3R5, PIK3R1, PIK3CD GPR55 2120/4885PIK3CG 6/4885PIK3CD 3/4885
US-11225486-B2 Tertiary alcohols as PI3K-γ inhibitors PIK3R5, PIK3CG, PIK3CD GPR55 2220/4885PIK3CG 2/4885PIK3CD 3/4885
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 GPR55 3736/4885PIK3CG 16/4885PIK3CD 10/4885
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A GPR55 1966/4885PIK3CG 1271/4885PIK3CD 837/4885

“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.