SCHEMBL4878024

SCHEMBL4878024

COC(=O)c1ccc(Cc2sc(NC(C)=O)nc2CCc2ccc(NC(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 13/20 0.66
CYP17A1 P05093 2/20 0.44
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
GLS O94925 1/20 0.40
LCK P06239 1/20 0.40
MAPK14 Q16539 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL4867025 0.94 AOC3 (0.58) AOC3CYP17A1PIK3CAPIK3CBPIK3CG
SCHEMBL4872960 0.93 AOC3 (0.55) AOC3CYP17A1GLSMAPK14
SCHEMBL4866969 0.92 AOC3 (0.55) AOC3CYP17A1GLSMAPK14
SCHEMBL4873118 0.89 AOC3 (0.60) AOC3CYP17A1PIK3CAPIK3CBPIK3CG
SCHEMBL4873126 0.89 AOC3 (0.60) AOC3CYP17A1PIK3CAPIK3CBPIK3CG
SCHEMBL27626596 0.86 AOC3 (0.49) AOC3CYP17A1GLSLCKHDAC1
SCHEMBL4883904 0.86 AOC3 (0.48) AOC3CYP17A1GLSHDAC1HDAC6
SCHEMBL14019550 0.85 AOC3 (0.74) AOC3PIK3CAPIK3CBPIK3CGPI4KB
Hydrochloric Acid SCHEMBL4875863 0.84 AOC3 (0.74) AOC3PIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL4871967 0.84 AOC3 (0.47) AOC3CYP17A1PIK3CAPIK3CBPIK3CG

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 AOC3 202/4885CYP17A1 2790/4885PIK3CA 4444/4885
US-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 AOC3 782/4885CYP17A1 3237/4885PIK3CA 4514/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 AOC3 85/4885CYP17A1 3226/4885PIK3CA 4321/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 AOC3 782/4885CYP17A1 3237/4885PIK3CA 4514/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB AOC3 590/4885CYP17A1 3648/4885PIK3CA 4381/4885

“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.