SCHEMBL4874768

SCHEMBL4874768

CC(=O)Nc1nc(-c2ccc(C=O)cc2)c(-c2ccc(S(C)(=O)=O)cc2)s1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.65
PIK3CA P42336 6/20 0.65
PIK3CB P42338 6/20 0.65
PIK3CG P48736 6/20 0.65
ALDH1A1 P00352 2/20 0.58
MAPT P10636 2/20 0.58
KDM4E B2RXH2 1/20 0.58
LMNA P02545 1/20 0.58
GAA P10253 1/20 0.58
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
AOC3 Q16853 2/20 0.49
RORC P51449 1/20 0.47
PTGS2 P35354 7/20 0.46
ADORA3 P0DMS8 1/20 0.44
ADORA2B P29275 1/20 0.44
PTGS1 P23219 2/20 0.44
ADORA2A P29274 1/20 0.43

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
SCHEMBL4990301 0.87 PIK3CD (0.60) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL4990287 0.87 PIK3CD (0.60) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL3930927 0.85 RORC (0.54) PIK3CDPIK3CAPIK3CBPIK3CGAOC3
SCHEMBL4874805 0.84 PIK3CD (0.65) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL4863724 0.84 PIK3CD (0.56) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL4863720 0.84 PIK3CD (0.56) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL4863712 0.82 PIK3CD (0.57) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL27654534 0.81 PIK3CD (0.61) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL4875817 0.81 PIK3CD (0.60) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL4871983 0.81 PIK3CD (0.60) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608365-B1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE R TECH UENO LTD (JP) 2013-10-02 EP disclosed
US-7442715-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2008-10-28 US disclosed
US-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2008-05-22 US disclosed
US-20060276521-A1 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2006-12-07 US disclosed
US-7125901-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2006-10-24 US disclosed
US-20060229346-A1 Method for treating vascular hyperpermeable disease SUCAMPO AG (CH) 2006-10-12 US disclosed
US-20060128770-A1 Thiazole derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2006-06-15 US disclosed
EP-1608365-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE Sucampo AG (CH) 2005-12-28 EP disclosed
EP-1587800-A1 THIAZOLE DERIVATIVES AND THEIR USE AS VAP-1 INHIBITORS Astellas Pharma Inc. (JP) 2005-10-26 EP disclosed
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-12-23 US disclosed
WO-2004087138-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2004-10-14 WO disclosed
WO-2004067521-A1 THIAZOLE DERIVATIVES AND THEIR USE AS VAP-1 INHIBITORS ASTELLAS PHARMA INC. (JP) 2004-08-12 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 (5 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-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE VCAM1, ICAM1, VAPB PIK3CD 4600/4885PIK3CA 4444/4885PIK3CB 4613/4885
US-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 PIK3CD 4519/4885PIK3CA 4514/4885PIK3CB 4739/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 PIK3CD 4683/4885PIK3CA 4321/4885PIK3CB 4693/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 PIK3CD 4519/4885PIK3CA 4514/4885PIK3CB 4739/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB PIK3CD 3966/4885PIK3CA 4381/4885PIK3CB 4315/4885

“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.