SCHEMBL3397137

SCHEMBL3397137

CCC(=O)/C(C)=C/c1ccc(F)c(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 5/20 0.66
TSHR P16473 2/20 0.47
SIGMAR1 Q99720 2/20 0.46
GABRA1 P14867 1/20 0.46
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ABCB11 O95342 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 1/20 0.37
DPEP1 P16444 1/20 0.37
TUBB1 Q9H4B7 1/20 0.36

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
SCHEMBL3397139 1.00 TRPA1 (0.66) TRPA1TSHRSIGMAR1GABRA1KMT2A
SCHEMBL3400062 0.83 TRPA1 (0.58) TRPA1TSHRSIGMAR1GABRA1KMT2A
SCHEMBL3400070 0.83 TRPA1 (0.58) TRPA1TSHRSIGMAR1GABRA1KMT2A
SCHEMBL27822645 0.81 TRPA1 (0.58) TRPA1TSHRSIGMAR1GABRA1KMT2A
SCHEMBL9678322 0.80 TRPA1 (0.53) TRPA1SIGMAR1KMT2AMEN1ABCB11
SCHEMBL912465 0.80 TRPA1 (0.53) TRPA1SIGMAR1KMT2AMEN1ABCB11
SCHEMBL912464 0.80 TRPA1 (0.53) TRPA1SIGMAR1KMT2AMEN1ABCB11
SCHEMBL4455471 0.79 TRPA1 (1.00) TRPA1TSHRSIGMAR1GABRA1KMT2A
SCHEMBL4455468 0.79 TRPA1 (1.00) TRPA1TSHRSIGMAR1GABRA1KMT2A
SCHEMBL4455463 0.79 TRPA1 (1.00) TRPA1TSHRSIGMAR1GABRA1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9108905-B2 TRPA1 antagonists ABBVIE INC. (US) 2015-08-18 US disclosed
EP-2249820-A1 TRPA1 ANTAGONISTS Abbott Laboratories (US) 2010-11-17 EP disclosed
WO-2009089082-A1 TRPA1 ANTAGONISTS ABBOTT LABORATORIES (US) 2009-07-16 WO disclosed
US-20090176883-A1 TRPA1 Antagonists ABBOTT LABORATORIES (US) 2009-07-09 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-20090176883-A1 TRPA1 Antagonists TRPA1, TRPV1, TRPV3 TRPA1 1/4885TSHR 785/4885SIGMAR1 303/4885

“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.