SCHEMBL4867330

SCHEMBL4867330

CC/C(=C\c1sc(NC(C)=O)nc1CCc1ccc(NC(=O)OC(C)(C)C)cc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GLS O94925 2/20 0.41
CYP17A1 P05093 1/20 0.39
AOC3 Q16853 9/20 0.38
DRD2 P14416 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
MAPKAPK2 P49137 3/20 0.36
SREBF2 Q12772 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL4867217 1.00 GLS (0.41) GLSCYP17A1AOC3DRD2PTGDR2
SCHEMBL4867227 1.00 GLS (0.41) GLSCYP17A1AOC3DRD2PTGDR2
SCHEMBL5545440 0.89 AOC3 (0.35) GLSCYP17A1AOC3
SCHEMBL5545441 0.89 AOC3 (0.35) GLSCYP17A1AOC3
SCHEMBL4873464 0.86 CYP17A1 (0.46) GLSCYP17A1AOC3DRD2MAPKAPK2
SCHEMBL3936306 0.84 GLS (0.43) GLSCYP17A1AOC3DRD2PTGDR2
SCHEMBL3933206 0.84 GLS (0.43) GLSCYP17A1AOC3DRD2PTGDR2
SCHEMBL3933198 0.84 GLS (0.43) GLSCYP17A1AOC3DRD2PTGDR2
SCHEMBL5547030 0.83 AOC3 (0.45) AOC3
SCHEMBL5547027 0.83 AOC3 (0.45) AOC3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442715-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2008-10-28 US disclosed
US-20070254931-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity ASTELLAS PHARMA INC. (JP) 2007-11-01 US disclosed
US-20060276521-A1 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2006-12-07 US disclosed
US-20060229346-A1 Method for treating vascular hyperpermeable disease SUCAMPO AG (CH) 2006-10-12 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 (3 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-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 GLS 2685/4885CYP17A1 3237/4885AOC3 782/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 GLS 3054/4885CYP17A1 3226/4885AOC3 85/4885
US-20070254931-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity VCAM1, VAPB, VAPA GLS 3831/4885CYP17A1 3261/4885AOC3 386/4885

“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.