SCHEMBL3933137

SCHEMBL3933137

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

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GLS O94925 2/20 0.46
CYP17A1 P05093 1/20 0.44
AOC3 Q16853 7/20 0.43
LCK P06239 3/20 0.41
DRD2 P14416 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40

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) GLSCYP17A1AOC3LCKDRD2
SCHEMBL4874746 0.90 CYP17A1 (0.45) GLSCYP17A1AOC3LCKDRD2
SCHEMBL27633644 0.89 GLS (0.42) GLSCYP17A1AOC3LCKDRD2
SCHEMBL3934593 0.88 ALDH1A1 (0.50) GLSCYP17A1AOC3LCK
SCHEMBL27634079 0.87 GLS (0.41) GLSCYP17A1AOC3LCKDRD2
SCHEMBL4875960 0.87 AOC3 (0.39) GLSCYP17A1AOC3
SCHEMBL4875952 0.87 AOC3 (0.39) GLSCYP17A1AOC3
SCHEMBL27626542 0.87 GLS (0.47) GLSAOC3LCKDRD2
SCHEMBL4883904 0.86 AOC3 (0.48) GLSCYP17A1AOC3
SCHEMBL4873464 0.84 CYP17A1 (0.46) GLSCYP17A1AOC3DRD2

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 20 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
CN-100491361-C Thiazole derivatives and their use as VAP-1 inhibitors FUJISAWA PHARMACEUTICAL CO (JP) 2009-05-27 CN disclosed
EP-1786792-B1 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY ASTELLAS PHARMA INC (JP) 2009-04-08 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-20070254931-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity ASTELLAS PHARMA INC. (JP) 2007-11-01 US disclosed
EP-1786792-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY Astellas Pharma Inc. (JP) 2007-05-23 EP 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
CN-1761655-A Thiazole derivatives and their use as VAP-1 inhibitors FUJISAWA PHARMACEUTICAL CO (JP) 2006-04-19 CN disclosed
WO-2006011631-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY ASTELLAS PHARMA INC. (JP) 2006-02-02 WO 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 (6 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 GLS 3490/4885CYP17A1 2790/4885AOC3 202/4885
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
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 GLS 2685/4885CYP17A1 3237/4885AOC3 782/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB GLS 2577/4885CYP17A1 3648/4885AOC3 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.