SCHEMBL21998481

SCHEMBL21998481

CS(=O)(=O)Nc1ccc(/C=C/c2ccc3c(c2)OCO3)cc1F

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.49
ATM Q13315 1/20 0.49
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
CYP19A1 P11511 2/20 0.47
EPHX2 P34913 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GLO1 Q04760 1/20 0.44
PIK3CD O00329 1/20 0.44
NPC1 O15118 1/20 0.44
MTOR P42345 1/20 0.44
RAB9A P51151 1/20 0.44
VCP P55072 1/20 0.44

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
SCHEMBL21998482 0.88 HPGD (0.56) CYP3A4ATMALDH1A1KDM4ECYP19A1
SCHEMBL21998484 0.86 CYP19A1 (0.44) CYP3A4ATMALDH1A1KDM4ECYP19A1
SCHEMBL21998483 0.86 CYP3A4 (0.46) CYP3A4ATMALDH1A1KDM4ECYP19A1
SCHEMBL21998729 0.83 HPGD (0.56) CYP3A4ALDH1A1CYP19A1POLBMAPT
SCHEMBL19097991 0.81 EPHX2 (0.59) CYP3A4ATMALDH1A1KDM4ECYP19A1
SCHEMBL21933265 0.80 MAPT (0.59) CYP3A4ATMALDH1A1KDM4EEPHX2
SCHEMBL12678572 0.78 TRPV1 (0.41)
SCHEMBL21994187 0.78 MEN1 (0.52) CYP3A4ALDH1A1KDM4EEPHX2MAPT
SCHEMBL21998480 0.77 EPHX2 (0.70) CYP3A4ATMALDH1A1KDM4EEPHX2
SCHEMBL21998502 0.75 MAPT (0.49) CYP3A4ALDH1A1KDM4EEPHX2MAPT

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-10829466-B2 Stilbene derivative and preparation method thereof BEIJING INSTITUTE OF TECHNOLOGY (CN) 2020-11-10 US disclosed
US-20200148662-A1 NOVEL STILBENE DERIVATIVE AND PREPARATION METHOD THEREOF BEIJING INSTITUTE OF TECHNOLOGY (CN) 2020-05-14 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-10829466-B2 Stilbene derivative and preparation method thereof STS, F12, GLB1 CYP3A4 1011/4885ATM 1371/4885ALDH1A1 449/4885
US-20200148662-A1 NOVEL STILBENE DERIVATIVE AND PREPARATION METHOD THEREOF STS, F12, STK38L CYP3A4 1376/4885ATM 1255/4885ALDH1A1 415/4885

“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.