SCHEMBL20113124

SCHEMBL20113124

O=C(NCc1cc(-c2ccc(C(F)(F)F)cn2)ccn1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 19/20 0.78
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
GLA P06280 1/20 0.53
PKM P14618 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL894178 0.90 TRPA1 (0.68) TRPA1ALDH1A1LMNAGLAPKM
SCHEMBL21716342 0.90 TRPA1 (0.78) TRPA1
SCHEMBL16635155 0.88 TRPA1 (1.00) TRPA1
SCHEMBL16647830 0.88 TRPA1 (1.00) TRPA1
SCHEMBL16635159 0.88 TRPA1 (1.00) TRPA1
SCHEMBL13570566 0.87 TRPA1 (0.68) TRPA1ALDH1A1LMNAGLAPKM
SCHEMBL13570565 0.87 TRPA1 (0.68) TRPA1ALDH1A1LMNAGLAPKM
SCHEMBL894118 0.87 TRPA1 (0.65) TRPA1
SCHEMBL16648102 0.87 TRPA1 (0.84) TRPA1
SCHEMBL18236566 0.86 TRPA1 (0.71) TRPA1

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 1/4885ALDH1A1 576/4885LMNA 3964/4885

“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.