SCHEMBL4875902

SCHEMBL4875902

CC(=O)Nc1nc(CCc2ccc(NC(NC(=O)O)(N(C(=O)O)C(C)(C)C)C(C)(C)C)cc2)c(Cc2ccc(S(C)(=O)=O)cc2)s1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 16/20 0.58
PIK3CD O00329 2/20 0.38
PIK3CA P42336 2/20 0.38
PIK3CB P42338 2/20 0.38
PIK3CG P48736 2/20 0.38
RORC P51449 1/20 0.34

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
SCHEMBL4987469 0.95 AOC3 (0.57) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4873931 0.94 AOC3 (0.50) AOC3RORC
SCHEMBL5496093 0.93 AOC3 (0.59) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5551608 0.92 AOC3 (0.60) AOC3RORC
SCHEMBL4988932 0.92 AOC3 (0.56) AOC3RORC
SCHEMBL4873660 0.92 AOC3 (0.61) AOC3RORC
SCHEMBL5550423 0.91 AOC3 (0.54) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4876188 0.91 AOC3 (0.48) AOC3RORC
SCHEMBL4866140 0.89 AOC3 (0.46) AOC3RORC
SCHEMBL4982443 0.89 AOC3 (0.58) AOC3PIK3CDPIK3CAPIK3CBPIK3CG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 782/4885PIK3CD 4519/4885PIK3CA 4514/4885

“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.