SCHEMBL894313

SCHEMBL894313

CC(=O)c1ccc(-c2cccc(CNC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
TSHR P16473 2/20 0.62
ATM Q13315 1/20 0.58
FKBP1A P62942 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.52
TRPA1 O75762 2/20 0.52
MAPT P10636 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MAPK1 P28482 1/20 0.51
THRB P10828 1/20 0.51
POLB P06746 1/20 0.50
HTT P42858 1/20 0.50
PKM P14618 1/20 0.49

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
SCHEMBL893898 0.91 TSHR (0.59) ALDH1A1TSHRATMFKBP1AL3MBTL1
SCHEMBL893028 0.91 TSHR (0.61) TSHRATMFKBP1AL3MBTL1TRPA1
SCHEMBL894155 0.91 L3MBTL1 (0.64) TSHRATMFKBP1AL3MBTL1TRPA1
SCHEMBL894013 0.91 ATM (0.67) ALDH1A1TSHRATMFKBP1AL3MBTL1
SCHEMBL894018 0.90 TSHR (0.59) ALDH1A1TSHRATMFKBP1AL3MBTL1
SCHEMBL893894 0.89 TSHR (0.61) TSHRATMFKBP1AL3MBTL1TRPA1
SCHEMBL894002 0.89 TSHR (0.61) ALDH1A1TSHRATMFKBP1AL3MBTL1
SCHEMBL893740 0.89 TSHR (0.61) TSHRATMFKBP1AL3MBTL1TRPA1
SCHEMBL893322 0.89 POLB (0.64) ALDH1A1TSHRATMFKBP1AL3MBTL1
SCHEMBL893166 0.89 USP2 (0.60) TSHRATMPKM

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 ALDH1A1 1469/4885TSHR 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.