SCHEMBL5547033

SCHEMBL5547033

COC(=O)/C=C/c1ccc(-c2nc(NC(C)=O)sc2Cc2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 12/20 0.50
RORC P51449 3/20 0.49
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
PIK3CG P48736 1/20 0.46
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
PLTP P55058 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL3939934 0.91 RORC (0.52) AOC3RORCPIK3CDPIK3CAPIK3CB
SCHEMBL3939937 0.91 RORC (0.52) AOC3RORCPIK3CDPIK3CAPIK3CB
SCHEMBL3930927 0.88 RORC (0.54) AOC3RORCPIK3CDPIK3CAPIK3CB
SCHEMBL3933160 0.85 RORC (0.56) AOC3RORCPIK3CDPIK3CAPIK3CB
SCHEMBL5547039 0.83 RORC (0.52) AOC3RORCPIK3CDPIK3CAPIK3CB
SCHEMBL5547036 0.83 RORC (0.52) AOC3RORCPIK3CDPIK3CAPIK3CB
SCHEMBL3934588 0.82 AOC3 (0.54) AOC3RORCPIK3CDPIK3CAPIK3CB
SCHEMBL3936254 0.80 AOC3 (0.56) AOC3RORCPIK3CDPIK3CAPIK3CB
SCHEMBL3941557 0.80 RORC (0.52) AOC3RORCPIK3CDPIK3CAPIK3CB
SCHEMBL3931236 0.79 AOC3 (0.55) AOC3RORCPIK3CDPIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070254931-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity ASTELLAS PHARMA INC. (JP) 2007-11-01 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-20070254931-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity VCAM1, VAPB, VAPA AOC3 386/4885RORC 2485/4885PIK3CD 4021/4885

“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.