SCHEMBL4867025

SCHEMBL4867025

COC(=O)c1ccc(CCc2sc(NC(C)=O)nc2CCc2ccc(NC(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 13/20 0.58
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
GLS O94925 1/20 0.41
CYP17A1 P05093 2/20 0.41
LCK P06239 1/20 0.41
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
DRD2 P14416 1/20 0.38

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
SCHEMBL4878024 0.94 AOC3 (0.66) AOC3PIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL4883904 0.91 AOC3 (0.48) AOC3GLSCYP17A1HDAC1HDAC6
SCHEMBL27626596 0.90 AOC3 (0.49) AOC3GLSCYP17A1LCKHDAC1
SCHEMBL28759633 0.89 AOC3 (0.46) AOC3GLSCYP17A1HDAC1HDAC6
SCHEMBL27646813 0.87 AOC3 (0.46) AOC3GLSCYP17A1HDAC1HDAC6
SCHEMBL4872960 0.87 AOC3 (0.55) AOC3GLSCYP17A1DRD2
SCHEMBL4866969 0.86 AOC3 (0.55) AOC3GLSCYP17A1
SCHEMBL4871973 0.86 AOC3 (0.47) AOC3PIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL4871967 0.86 AOC3 (0.47) AOC3PIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL4873126 0.84 AOC3 (0.60) AOC3PIK3CAPIK3CBPIK3CGPI4KB

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.