SCHEMBL13263443

SCHEMBL13263443

C=C(C)NCc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.54
NR1H4 Q96RI1 1/20 0.54
NAMPT P43490 2/20 0.46
CYP2C9 P11712 1/20 0.46
MAPK8 P45983 4/20 0.44
MAPK9 P45984 4/20 0.44
MAPK10 P53779 3/20 0.44
CHRM4 P08173 1/20 0.44
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
TSHR P16473 1/20 0.44
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44
ENPP2 Q13822 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PRKD3 O94806 1/20 0.43
MAPK1 P28482 1/20 0.43
PRKD2 Q9BZL6 1/20 0.43

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
SCHEMBL201854 0.85 EPHX2 (0.54) EPHX2NR1H4NAMPTCYP2C9MAPK8
SCHEMBL5445398 0.84 EPHX2 (0.59) EPHX2NR1H4NAMPTCA1CA2
SCHEMBL3930626 0.82 EPHX2 (0.57) EPHX2NR1H4NAMPTCYP2C9MAPK8
SCHEMBL4899305 0.80 EPHX2 (0.59) EPHX2NR1H4NAMPTCYP2C9CHRM4
SCHEMBL28255002 0.79 CYP2C9 (0.58) EPHX2NR1H4NAMPTCYP2C9MAPK8
SCHEMBL935250 0.77 EPHX2 (0.56) EPHX2NR1H4NAMPTCA1CA2
SCHEMBL12049672 0.77 EPHX2 (0.56) EPHX2NR1H4NAMPTCYP2C9CHRM4
SCHEMBL4573368 0.77 EPHX2 (0.47) EPHX2NR1H4CA1CA2ENPP2
SCHEMBL14039212 0.77 KMT2A (0.63) ALDH1A1GAA
SCHEMBL14368081 0.76 ERCC1 (0.55) EPHX2NR1H4NAMPTCYP2C9MAPK8

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-20100168112-A1 2-Substituted and 4-substituted aryl nitrone compounds RENOVIS, INC. 2010-07-01 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-20100168112-A1 2-Substituted and 4-substituted aryl nitrone compounds CXCR2, CCL5, CCL2 EPHX2 1379/4885NR1H4 572/4885NAMPT 506/4885

“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.