SCHEMBL4883904

SCHEMBL4883904

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

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 13/20 0.48
GLS O94925 2/20 0.44
CYP17A1 P05093 2/20 0.41
CSNK2A2 P19784 1/20 0.40
CSNK2A1 P68400 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 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
SCHEMBL27646813 0.95 AOC3 (0.46) AOC3GLSCYP17A1CSNK2A2CSNK2A1
SCHEMBL4866969 0.94 AOC3 (0.55) AOC3GLSCYP17A1CSNK2A2CSNK2A1
SCHEMBL4867025 0.91 AOC3 (0.58) AOC3GLSCYP17A1HDAC1HDAC6
SCHEMBL27626596 0.91 AOC3 (0.49) AOC3GLSCYP17A1RXFP1HDAC1
SCHEMBL28759633 0.90 AOC3 (0.46) AOC3GLSCYP17A1HDAC1HDAC6
SCHEMBL3933137 0.86 GLS (0.46) AOC3GLSCYP17A1
SCHEMBL4878024 0.86 AOC3 (0.66) AOC3GLSCYP17A1HDAC1HDAC6
SCHEMBL6386759 0.86 GLS (0.40) AOC3GLSCYP17A1CSNK2A2CSNK2A1
SCHEMBL4872960 0.85 AOC3 (0.55) AOC3GLSCYP17A1
SCHEMBL4867278 0.84 AOC3 (0.43) AOC3GLSCYP17A1

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-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
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

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 202/4885GLS 3490/4885CYP17A1 2790/4885
US-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 AOC3 782/4885GLS 2685/4885CYP17A1 3237/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 AOC3 85/4885GLS 3054/4885CYP17A1 3226/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 AOC3 782/4885GLS 2685/4885CYP17A1 3237/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB AOC3 590/4885GLS 2577/4885CYP17A1 3648/4885

“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.