SCHEMBL4872960

SCHEMBL4872960

COC(=O)Nc1ccc(Cc2sc(NC(C)=O)nc2CCc2ccc(NC(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 13/20 0.55
CYP17A1 P05093 1/20 0.47
GLS O94925 1/20 0.42
MAPK14 Q16539 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
DRD2 P14416 1/20 0.39
ALDH1A1 P00352 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 0.93 AOC3 (0.66) AOC3CYP17A1GLSMAPK14
SCHEMBL4866969 0.92 AOC3 (0.55) AOC3CYP17A1GLSMAPK14
SCHEMBL4867025 0.87 AOC3 (0.58) AOC3CYP17A1GLSDRD2
SCHEMBL14019608 0.86 AOC3 (0.60) AOC3SMN1; SMN2
SCHEMBL27626596 0.86 AOC3 (0.49) AOC3CYP17A1GLSSMN1; SMN2
Hydrochloric Acid SCHEMBL4875857 0.85 AOC3 (0.61) AOC3SMN1; SMN2
SCHEMBL4883904 0.85 AOC3 (0.48) AOC3CYP17A1GLS
SCHEMBL4873464 0.84 CYP17A1 (0.46) AOC3CYP17A1GLSMAPK14DRD2
SCHEMBL4874746 0.83 CYP17A1 (0.45) AOC3CYP17A1GLSMAPK14DRD2
SCHEMBL4991572 0.83 AOC3 (0.49) AOC3SMN1; SMN2

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
CN-1794988-B Composition for treating vascular hyperpermeable disease SUCAMPO AG 2010-07-28 CN 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
CN-1794988-A Method for treating vascular hyperpermeable disease SUCAMPO AG (CH) 2006-06-28 CN disclosed
US-20060128770-A1 Thiazole derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2006-06-15 US 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-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 AOC3 202/4885CYP17A1 2790/4885GLS 3490/4885
US-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 AOC3 782/4885CYP17A1 3237/4885GLS 2685/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 AOC3 85/4885CYP17A1 3226/4885GLS 3054/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 AOC3 782/4885CYP17A1 3237/4885GLS 2685/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB AOC3 590/4885CYP17A1 3648/4885GLS 2577/4885

“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.