SCHEMBL4874746

SCHEMBL4874746

CNC(=O)c1sc(NC(C)=O)nc1CCc1ccc(NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.45
GLS O94925 1/20 0.43
LCK P06239 4/20 0.41
AOC3 Q16853 9/20 0.41
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
DRD2 P14416 1/20 0.39
MAPK14 Q16539 1/20 0.39

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
SCHEMBL4877861 0.90 GLS (0.48) CYP17A1GLSLCKAOC3DRD2
SCHEMBL3933137 0.90 GLS (0.46) CYP17A1GLSLCKAOC3DRD2
SCHEMBL27634079 0.89 GLS (0.41) CYP17A1GLSLCKAOC3HDAC1
SCHEMBL27633644 0.87 GLS (0.42) CYP17A1GLSLCKAOC3DRD2
SCHEMBL27626542 0.87 GLS (0.47) GLSLCKAOC3HDAC1HDAC6
SCHEMBL27626596 0.87 AOC3 (0.49) CYP17A1GLSLCKAOC3HDAC1
SCHEMBL3934593 0.86 ALDH1A1 (0.50) CYP17A1GLSLCKAOC3
SCHEMBL27654555 0.86 GLS (0.39) CYP17A1GLSLCKAOC3HDAC1
SCHEMBL4867181 0.85 AOC3 (0.48) AOC3
SCHEMBL27634161 0.85 HDAC1 (0.39) CYP17A1GLSLCKAOC3HDAC1

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 CYP17A1 2790/4885GLS 3490/4885LCK 3431/4885
US-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 CYP17A1 3237/4885GLS 2685/4885LCK 3639/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 CYP17A1 3226/4885GLS 3054/4885LCK 3985/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 CYP17A1 3237/4885GLS 2685/4885LCK 3639/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB CYP17A1 3648/4885GLS 2577/4885LCK 4469/4885

“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.