SCHEMBL4874051

SCHEMBL4874051

CC(=O)Nc1nc(CCc2ccc(NC(NC(=O)O)NC(=O)O)cc2)c(C(=O)NCc2ccc(S(C)(=O)=O)cc2)s1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 11/20 0.48
CHRM4 P08173 3/20 0.43
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
SCD O00767 1/20 0.38
NAMPT P43490 1/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
PRMT3 O60678 1/20 0.36

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
SCHEMBL4876493 0.92 AOC3 (0.50) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4992515 0.91 SCD (0.48) AOC3CHRM4SCDMEN1POLB
SCHEMBL4875867 0.90 AOC3 (0.52) AOC3CHRM4PIK3CDPIK3CAPIK3CB
SCHEMBL4873575 0.89 SCD (0.40) AOC3CHRM4SCDNAMPT
SCHEMBL4869384 0.88 PPARA (0.43) AOC3SCDMEN1POLBKMT2A
SCHEMBL4873046 0.87 SCD (0.42) AOC3SCDMEN1KMT2A
SCHEMBL4876799 0.87 PPARA (0.47) CHRM4SCD
SCHEMBL4866959 0.86 AOC3 (0.40) AOC3KMT2A
SCHEMBL4875627 0.86 AOC3 (0.64) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4984081 0.86 AOC3 (0.39) AOC3PIK3CDMEN1KMT2A

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 782/4885CHRM4 2289/4885PIK3CD 4519/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 AOC3 782/4885CHRM4 2289/4885PIK3CD 4519/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB AOC3 590/4885CHRM4 3947/4885PIK3CD 3966/4885

“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.