SCHEMBL4870892

SCHEMBL4870892

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

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 15/20 0.66
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
RORC P51449 1/20 0.39
XIAP P98170 2/20 0.35
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL4988127 0.86 AOC3 (0.54) AOC3XIAPSMN1; SMN2
SCHEMBL4984674 0.86 AOC3 (0.50) AOC3
SCHEMBL4875590 0.85 AOC3 (0.53) AOC3XIAP
SCHEMBL6385508 0.85 AOC3 (0.73) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3935576 0.85 AOC3 (0.73) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4873524 0.85 AOC3 (0.61) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4875894 0.85 AOC3 (0.61) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4875146 0.85 AOC3 (0.75) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
Iodide SCHEMBL6390155 0.84 AOC3 (0.67) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4873920 0.84 AOC3 (0.72) 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 3 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-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

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

For each of this compound's patents that has machine-readable text (2 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 202/4885PIK3CD 4600/4885PIK3CA 4444/4885
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.