SCHEMBL4871160

SCHEMBL4871160

COC(=O)c1ccc(C=Cc2nc(NC(C)=O)sc2-c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.57
PIK3CB P42338 7/20 0.57
PIK3CG P48736 7/20 0.57
PIK3CD O00329 6/20 0.57
PTPN1 P18031 1/20 0.47
CDC25B P30305 1/20 0.47
DUSP3 P51452 1/20 0.47
AOC3 Q16853 2/20 0.44
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
GLA P06280 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGS2 P35354 2/20 0.40

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
SCHEMBL4871157 1.00 PIK3CA (0.57) PIK3CAPIK3CBPIK3CGPIK3CDPTPN1
SCHEMBL6197347 0.90 PIK3CD (0.59) PIK3CAPIK3CBPIK3CGPIK3CDPTPN1
SCHEMBL6197343 0.90 PIK3CD (0.59) PIK3CAPIK3CBPIK3CGPIK3CDPTPN1
SCHEMBL4870851 0.85 PIK3CA (0.45) PIK3CAPIK3CBPIK3CGPIK3CDPTPN1
SCHEMBL4870860 0.85 PIK3CA (0.45) PIK3CAPIK3CBPIK3CGPIK3CDPTPN1
SCHEMBL4867086 0.84 PIK3CD (0.57) PIK3CAPIK3CBPIK3CGPIK3CDPTPN1
SCHEMBL4867076 0.84 PIK3CD (0.57) PIK3CAPIK3CBPIK3CGPIK3CDPTPN1
SCHEMBL4874841 0.84 AOC3 (0.49) PIK3CAPIK3CBPIK3CGPIK3CDPTPN1
SCHEMBL4874836 0.84 AOC3 (0.49) PIK3CAPIK3CBPIK3CGPIK3CDPTPN1
SCHEMBL4871812 0.78 AOC3 (0.70) PIK3CAPIK3CBPIK3CGPIK3CDAOC3

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
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
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

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 PIK3CA 4444/4885PIK3CB 4613/4885PIK3CG 4625/4885
US-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 PIK3CA 4514/4885PIK3CB 4739/4885PIK3CG 4698/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 PIK3CA 4321/4885PIK3CB 4693/4885PIK3CG 4725/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 PIK3CA 4514/4885PIK3CB 4739/4885PIK3CG 4698/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB PIK3CA 4381/4885PIK3CB 4315/4885PIK3CG 4200/4885

“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.