SCHEMBL4875954

SCHEMBL4875954

CC(=O)NCCNC(=O)c1sc(NC(C)=O)nc1CCc1ccc(NC(NC(=O)O)NC(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 15/20 0.40
PIK3CG P48736 1/20 0.38
RXFP1 Q9HBX9 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 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
SCHEMBL4984081 0.91 AOC3 (0.39) AOC3MEN1KMT2A
SCHEMBL4986280 0.90 SCD (0.44) AOC3RXFP1MEN1KMT2A
SCHEMBL4866959 0.90 AOC3 (0.40) AOC3KMT2A
SCHEMBL4874963 0.90 AOC3 (0.37) AOC3MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL4990497 0.90 AOC3 (0.37) AOC3MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL5670972 0.89 AOC3 (0.43) AOC3MEN1KMT2A
SCHEMBL4992515 0.89 SCD (0.48) AOC3RXFP1MEN1CYP1A2CYP2C9
SCHEMBL4871739 0.89 AOC3 (0.36) AOC3MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL4984508 0.88 AOC3 (0.43) AOC3PIK3CGRXFP1MEN1CYP1A2
SCHEMBL4875929 0.88 AOC3 (0.38) AOC3RXFP1MEN1CYP1A2CYP2C9

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 6 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-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-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 (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 AOC3 782/4885PIK3CG 4698/4885RXFP1 191/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 AOC3 782/4885PIK3CG 4698/4885RXFP1 191/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB AOC3 590/4885PIK3CG 4200/4885RXFP1 1041/4885

“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.