SCHEMBL4871812

SCHEMBL4871812

COC(=O)c1ccc(CCc2nc(NC(C)=O)sc2-c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 12/20 0.70
PIK3CA P42336 4/20 0.57
PIK3CB P42338 4/20 0.57
PIK3CG P48736 4/20 0.57
PIK3CD O00329 3/20 0.57
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL4867104 0.88 AOC3 (0.75) AOC3PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL4874385 0.87 AOC3 (0.77) AOC3PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL4877874 0.87 AOC3 (0.77) AOC3PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL4874846 0.87 AOC3 (0.74) AOC3PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL4865257 0.86 AOC3 (0.70) AOC3PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL4867237 0.86 AOC3 (0.73) AOC3PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL27626576 0.85 AOC3 (0.54) AOC3PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL14019515 0.83 AOC3 (0.74) AOC3PIK3CAPIK3CBPIK3CGPIK3CD
Hydrochloric Acid SCHEMBL4863665 0.82 AOC3 (0.74) AOC3PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL14019549 0.82 AOC3 (0.73) AOC3PIK3CAPIK3CBPIK3CGPIK3CD

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 8 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
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-12-23 US 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 AOC3 202/4885PIK3CA 4444/4885PIK3CB 4613/4885
US-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 AOC3 782/4885PIK3CA 4514/4885PIK3CB 4739/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 AOC3 85/4885PIK3CA 4321/4885PIK3CB 4693/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 AOC3 782/4885PIK3CA 4514/4885PIK3CB 4739/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB AOC3 590/4885PIK3CA 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.