SCHEMBL893802

SCHEMBL893802

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

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
ATM Q13315 1/20 0.58
FKBP1A P62942 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
TRPA1 O75762 2/20 0.51
MAPT P10636 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
TP53 P04637 1/20 0.51
THRB P10828 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
POLB P06746 1/20 0.49
HCRTR1 O43613 1/20 0.49
HCRTR2 O43614 1/20 0.49
PKM P14618 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KMT2A Q03164 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
SCHEMBL893028 0.90 TSHR (0.61) TSHRATMFKBP1AL3MBTL1TRPA1
SCHEMBL894155 0.90 L3MBTL1 (0.64) TSHRATMFKBP1AL3MBTL1TRPA1
SCHEMBL894013 0.90 ATM (0.67) TSHRATMFKBP1AL3MBTL1TRPA1
SCHEMBL894313 0.89 ALDH1A1 (0.62) TSHRATMFKBP1AL3MBTL1TRPA1
SCHEMBL894018 0.89 TSHR (0.59) TSHRATMFKBP1AL3MBTL1TRPA1
SCHEMBL894002 0.89 TSHR (0.61) TSHRATMFKBP1AL3MBTL1TRPA1
SCHEMBL893322 0.89 POLB (0.64) TSHRATMFKBP1AL3MBTL1TRPA1
SCHEMBL893740 0.89 TSHR (0.61) TSHRATMFKBP1AL3MBTL1TRPA1
SCHEMBL893894 0.89 TSHR (0.61) TSHRATMFKBP1AL3MBTL1TRPA1
SCHEMBL893166 0.88 USP2 (0.60) TSHRATMHCRTR1HCRTR2PKM

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 TSHR 2952/4885ATM 2689/4885FKBP1A 1198/4885

“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.