SCHEMBL4182785

SCHEMBL4182785

N#C/C(=C\c1ccccc1Cl)S(=O)(=O)Cc1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.47
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NLRP3 Q96P20 2/20 0.39
ATM Q13315 1/20 0.39
TP53 P04637 2/20 0.37
MAPT P10636 2/20 0.37
THRB P10828 1/20 0.37
ALDH1A1 P00352 2/20 0.37
EGFR P00533 3/20 0.36
ERBB2 P04626 3/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL4182790 1.00 TRPA1 (0.47) TRPA1CA12CA1CA2CA9
SCHEMBL4182792 1.00 TRPA1 (0.47) TRPA1CA12CA1CA2CA9
SCHEMBL4173091 0.91 TRPA1 (0.50) TRPA1CA12CA1CA2CA9
SCHEMBL4173088 0.91 TRPA1 (0.50) TRPA1CA12CA1CA2CA9
SCHEMBL4173087 0.91 TRPA1 (0.50) TRPA1CA12CA1CA2CA9
SCHEMBL4171775 0.87 TRPA1 (0.47) TRPA1CA12CA1CA2CA9
SCHEMBL4171782 0.87 TRPA1 (0.47) TRPA1CA12CA1CA2CA9
SCHEMBL4171778 0.87 TRPA1 (0.47) TRPA1CA12CA1CA2CA9
SCHEMBL4182971 0.81 TRPA1 (0.48) TRPA1CA12CA1CA2CA9
SCHEMBL4182973 0.81 TRPA1 (0.48) TRPA1CA12CA1CA2CA9

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-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 claimed
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 TRPA1 3599/4885CA12 2120/4885CA1 3291/4885

“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.