SCHEMBL17987019

SCHEMBL17987019

O=C(NCc1cc(Cl)nc(-c2ccc(CF)nc2)c1)[C@@H]1C[C@@H](F)CN1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 12/20 0.46
CTSC P53634 5/20 0.35
PTGES O14684 1/20 0.35
HTR2C P28335 1/20 0.35
MASP2 O00187 1/20 0.32

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
SCHEMBL16647963 0.86 TRPA1 (0.61) TRPA1PTGES
Hydrochloric Acid SCHEMBL16635010 0.86 TRPA1 (0.60) TRPA1PTGES
SCHEMBL16634879 0.84 TRPA1 (0.58) TRPA1PTGES
SCHEMBL17987069 0.81 TRPA1 (0.45) TRPA1
SCHEMBL16648008 0.79 TRPA1 (0.59) TRPA1PTGES
Hydrochloric Acid SCHEMBL17959555 0.79 TRPA1 (0.58) TRPA1PTGES
SCHEMBL16635721 0.77 CTSC (0.38) TRPA1CTSCHTR2CMASP2
SCHEMBL16648080 0.76 TRPA1 (0.62) TRPA1PTGES
SCHEMBL16635288 0.76 CTSC (0.41) CTSCHTR2CMASP2
Hydrochloric Acid SCHEMBL17959542 0.76 TRPA1 (0.61) TRPA1PTGES

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-20160221945-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2016-08-04 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-20160221945-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 TRPA1 1/4885CTSC 1795/4885PTGES 219/4885

“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.