SCHEMBL4184693

SCHEMBL4184693

N#C/C(=C/c1ccccc1O)S(=O)(=O)Cc1ccc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 3/20 0.46
ERCC4 Q92889 3/20 0.46
TBXA2R P21731 1/20 0.39
PTGFR P43088 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
PTGIR P43119 1/20 0.39
PTGDR Q13258 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
MAPT P10636 2/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL4184690 1.00 ERCC1 (0.46) ERCC1ERCC4TBXA2RPTGFRPTGER3
SCHEMBL4184695 1.00 ERCC1 (0.46) ERCC1ERCC4TBXA2RPTGFRPTGER3
SCHEMBL4175198 0.87 ERCC1 (0.45) ERCC1ERCC4MEN1KMT2ACA12
SCHEMBL4175188 0.87 ERCC1 (0.45) ERCC1ERCC4MEN1KMT2ACA12
SCHEMBL4175195 0.87 ERCC1 (0.45) ERCC1ERCC4MEN1KMT2ACA12
SCHEMBL4186111 0.84 ALDH1A1 (0.42) ERCC1ERCC4TBXA2RPTGFRPTGER3
SCHEMBL4186118 0.84 ALDH1A1 (0.42) ERCC1ERCC4TBXA2RPTGFRPTGER3
SCHEMBL4186115 0.84 ALDH1A1 (0.42) ERCC1ERCC4TBXA2RPTGFRPTGER3
SCHEMBL4188837 0.84 MEN1 (0.43) MEN1KMT2AMAPTL3MBTL1SENP1
SCHEMBL4188845 0.84 MEN1 (0.43) MEN1KMT2AMAPTL3MBTL1SENP1

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 3746/4885TBXA2R 2755/4885

“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.