SCHEMBL4873464

SCHEMBL4873464

CC(=O)Nc1nc(CCc2ccc(NC(=O)OC(C)(C)C)cc2)c(C=O)s1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.46
GLS O94925 2/20 0.43
AOC3 Q16853 12/20 0.42
DRD2 P14416 1/20 0.40
MAPK14 Q16539 1/20 0.40
PSMB8 P28062 1/20 0.40
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MAPKAPK2 P49137 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
SCHEMBL3936306 0.88 GLS (0.43) CYP17A1GLSAOC3DRD2MAPK14
SCHEMBL3933206 0.88 GLS (0.43) CYP17A1GLSAOC3DRD2MAPK14
SCHEMBL3933198 0.88 GLS (0.43) CYP17A1GLSAOC3DRD2MAPK14
SCHEMBL4867227 0.86 GLS (0.41) CYP17A1GLSAOC3DRD2MAPKAPK2
SCHEMBL4867217 0.86 GLS (0.41) CYP17A1GLSAOC3DRD2MAPKAPK2
SCHEMBL4867330 0.86 GLS (0.41) CYP17A1GLSAOC3DRD2MAPKAPK2
SCHEMBL4866036 0.85 GLS (0.39) CYP17A1GLSAOC3DRD2MAPKAPK2
SCHEMBL4867213 0.85 GLS (0.39) CYP17A1GLSAOC3DRD2MAPKAPK2
SCHEMBL4866042 0.85 GLS (0.39) CYP17A1GLSAOC3DRD2MAPKAPK2
SCHEMBL3931287 0.85 AOC3 (0.48) 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 14 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-100491361-C Thiazole derivatives and their use as VAP-1 inhibitors FUJISAWA PHARMACEUTICAL CO (JP) 2009-05-27 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
US-20060128770-A1 Thiazole derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2006-06-15 US disclosed
CN-1761655-A Thiazole derivatives and their use as VAP-1 inhibitors FUJISAWA PHARMACEUTICAL CO (JP) 2006-04-19 CN disclosed
EP-1608365-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE Sucampo AG (CH) 2005-12-28 EP 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-2004087138-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2004-10-14 WO 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 CYP17A1 2790/4885GLS 3490/4885AOC3 202/4885
US-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 CYP17A1 3237/4885GLS 2685/4885AOC3 782/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 CYP17A1 3226/4885GLS 3054/4885AOC3 85/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 CYP17A1 3237/4885GLS 2685/4885AOC3 782/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB CYP17A1 3648/4885GLS 2577/4885AOC3 590/4885

“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.