SCHEMBL893745

SCHEMBL893745

O=C(NCc1cccc(-c2ccc(OCC(F)(F)F)cc2)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 9/20 0.56
TSHR P16473 1/20 0.55
ATM Q13315 1/20 0.54
PKM P14618 1/20 0.48
FKBP1A P62942 1/20 0.48
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
USP2 O75604 1/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL893874 0.90 TRPA1 (0.58) TRPA1TSHRATMPKMFKBP1A
SCHEMBL893040 0.89 TSHR (0.59) TRPA1TSHRATMFKBP1AHCRTR1
SCHEMBL893166 0.88 USP2 (0.60) TSHRATMPKMHCRTR1HCRTR2
SCHEMBL894013 0.87 ATM (0.67) TRPA1TSHRATMFKBP1AMMP2
SCHEMBL893758 0.87 TRPA1 (0.71) TRPA1TSHRATM
SCHEMBL894138 0.87 TSHR (0.60) TRPA1TSHRATMFKBP1AHCRTR1
SCHEMBL893870 0.86 ATM (0.59) TRPA1TSHRATMFKBP1AL3MBTL1
SCHEMBL893833 0.86 TSHR (0.57) TRPA1TSHRATMPKMFKBP1A
SCHEMBL893740 0.86 TSHR (0.61) TRPA1TSHRATMFKBP1AHCRTR1
SCHEMBL893028 0.86 TSHR (0.61) TRPA1TSHRATMPKMFKBP1A

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-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US claimed
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO 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 1/4885TSHR 2952/4885ATM 2689/4885

“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.