SCHEMBL4182973

SCHEMBL4182973

N#CC(=Cc1ccccc1Cl)S(=O)(=O)Nc1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.48
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
MAPT P10636 3/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
ATM Q13315 1/20 0.39
KMT2A Q03164 3/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
PGR P06401 1/20 0.38
CA4 P22748 1/20 0.38

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
SCHEMBL4182964 1.00 TRPA1 (0.48) TRPA1CA1CA2CA12CA9
SCHEMBL4182971 1.00 TRPA1 (0.48) TRPA1CA1CA2CA12CA9
SCHEMBL4183597 0.87 TRPA1 (0.48) TRPA1CA1CA2CA12CA9
SCHEMBL4183592 0.87 TRPA1 (0.48) TRPA1CA1CA2CA12CA9
SCHEMBL4183602 0.87 TRPA1 (0.48) TRPA1CA1CA2CA12CA9
SCHEMBL4179315 0.85 CA1 (0.41) CA1CA2CA12CA9MAPT
SCHEMBL4179317 0.85 CA1 (0.41) CA1CA2CA12CA9MAPT
SCHEMBL4179310 0.85 CA1 (0.41) CA1CA2CA12CA9MAPT
SCHEMBL4189415 0.81 KDM4E (0.50) CA1CA2CA12CA9MAPT
SCHEMBL4189421 0.81 KDM4E (0.50) CA1CA2CA12CA9MAPT

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 3599/4885CA1 3291/4885CA2 3164/4885

“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.