SCHEMBL4181759

SCHEMBL4181759

COc1ccc(/C=C(\C#N)S(=O)(=O)Cc2ccc(Cl)cc2Cl)c(O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.41
ERCC4 Q92889 1/20 0.41
TRIM24 O15164 1/20 0.40
TYR P14679 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
ALDH1A1 P00352 2/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
IDO1 P14902 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
CYP1A2 P05177 2/20 0.37

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
SCHEMBL4181766 1.00 ERCC1 (0.41) ERCC1ERCC4TRIM24TYRTRIM33
SCHEMBL4181764 1.00 ERCC1 (0.41) ERCC1ERCC4TRIM24TYRTRIM33
SCHEMBL4185872 0.90 CYP1A2 (0.47) MEN1KMT2AL3MBTL1ALDH1A1THRB
SCHEMBL4185874 0.90 CYP1A2 (0.47) MEN1KMT2AL3MBTL1ALDH1A1THRB
SCHEMBL4185868 0.90 CYP1A2 (0.47) MEN1KMT2AL3MBTL1ALDH1A1THRB
SCHEMBL4182943 0.89 MEN1 (0.38) ERCC1ERCC4CA12CA1CA2
SCHEMBL4182942 0.89 MEN1 (0.38) ERCC1ERCC4CA12CA1CA2
SCHEMBL4182948 0.89 MEN1 (0.38) ERCC1ERCC4CA12CA1CA2
SCHEMBL4175195 0.88 ERCC1 (0.45) ERCC1ERCC4CA12CA1CA2
SCHEMBL4175188 0.88 ERCC1 (0.45) ERCC1ERCC4CA12CA1CA2

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-20090191193-A1 Aryl Vinyl Sulfides, Sulfones, Sulfoxides and Sulfonamides, Derivatives Thereof and Therapeutic Uses Thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-07-30 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-20090191193-A1 Aryl Vinyl Sulfides, Sulfones, Sulfoxides and Sulfonamides, Derivatives Thereof and Therapeutic Uses Thereof ARSA, STS, SULT2A1 ERCC1 3371/4885ERCC4 3746/4885TRIM24 4277/4885

“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.