SCHEMBL10164566

SCHEMBL10164566

Cc1ccc(-c2cc(CNC(=O)[C@@H]3C=CCN3S(=O)(=O)c3ccc(F)cc3)cc(N3CCN(Cc4ccccc4)CC3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 10/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
MCHR1 Q99705 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL10164519 0.94 TRPA1 (0.41) TRPA1TP53ALDH1A1MCHR1
SCHEMBL10164574 0.93 TSHR (0.47) TRPA1TP53ALDH1A1TSHRKDM4E
SCHEMBL894519 0.92 TRPA1 (0.45) TRPA1
SCHEMBL10164627 0.90 TRPA1 (0.42) TRPA1TP53MAPT
SCHEMBL10164512 0.90 LMNA (0.44) TRPA1TP53MAPTLMNA
SCHEMBL10164594 0.88 L3MBTL1 (0.53) TRPA1MAPTTSHR
SCHEMBL10164586 0.87 LMNA (0.41) TRPA1MAPTALDH1A1LMNAMCHR1
SCHEMBL894366 0.86 TRPA1 (0.45) TRPA1
SCHEMBL10164624 0.85 TRPA1 (0.46) TRPA1TSHR
SCHEMBL894182 0.85 TSHR (0.46) TRPA1TSHR

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-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 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-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 TRPA1, TRPV1, TRPV2 TRPA1 1/4885TP53 3818/4885MAPT 1004/4885

“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.