SCHEMBL4873524

SCHEMBL4873524

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

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 15/20 0.61
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
RORC P51449 2/20 0.38
PSMB5 P28074 1/20 0.37
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 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
SCHEMBL5550418 0.85 AOC3 (0.57) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4873920 0.85 AOC3 (0.72) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4870892 0.85 AOC3 (0.66) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL14019612 0.84 AOC3 (0.71) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3938903 0.84 AOC3 (0.65) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
Hydrochloric Acid SCHEMBL3930741 0.84 AOC3 (0.70) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4875894 0.84 AOC3 (0.61) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5550423 0.83 AOC3 (0.54) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4874225 0.82 AOC3 (0.70) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4875902 0.82 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 4 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-20070254931-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity ASTELLAS PHARMA INC. (JP) 2007-11-01 US disclosed
US-20060276521-A1 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2006-12-07 US disclosed
US-20060229346-A1 Method for treating vascular hyperpermeable disease SUCAMPO AG (CH) 2006-10-12 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 782/4885PIK3CD 4519/4885PIK3CA 4514/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 AOC3 85/4885PIK3CD 4683/4885PIK3CA 4321/4885
US-20070254931-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity VCAM1, VAPB, VAPA AOC3 386/4885PIK3CD 4021/4885PIK3CA 4220/4885

“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.