SCHEMBL20113075

SCHEMBL20113075

O=C(NCc1cc(Cl)nc(-c2ccc(C(F)F)nc2)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 16/20 0.78
TSHR P16473 1/20 0.53
ATM Q13315 1/20 0.50

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
SCHEMBL16635325 0.88 TRPA1 (1.00) TRPA1
SCHEMBL20113241 0.81 TRPA1 (0.77) TRPA1
SCHEMBL893990 0.79 TSHR (0.61) TRPA1TSHRATM
SCHEMBL21442122 0.77 TRPA1 (0.68) TRPA1
SCHEMBL16635446 0.77 TRPA1 (1.00) TRPA1
SCHEMBL10164533 0.76 L3MBTL1 (0.56) TRPA1TSHRATM
SCHEMBL20113086 0.76 TRPA1 (0.78) TRPA1TSHRATM
SCHEMBL21441950 0.76 TRPA1 (0.63) TRPA1TSHRATM
SCHEMBL10164494 0.76 L3MBTL1 (0.55) TRPA1TSHRATM
SCHEMBL10164523 0.76 L3MBTL1 (0.55) TRPA1TSHRATM

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-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2018-05-03 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-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 TRPA1 1/4885TSHR 3100/4885ATM 3551/4885

“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.