SCHEMBL894155

SCHEMBL894155

Cc1ccc(-c2cccc(CNC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.64
MAPT P10636 2/20 0.62
TSHR P16473 1/20 0.61
ATM Q13315 1/20 0.60
RAB9A P51151 1/20 0.59
FKBP1A P62942 2/20 0.58
GLA P06280 1/20 0.57
THRB P10828 1/20 0.55
TP53 P04637 1/20 0.54
TRPA1 O75762 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53
GAA P10253 1/20 0.52
POLB P06746 1/20 0.52

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 0.93 TSHR (0.61) L3MBTL1MAPTTSHRATMFKBP1A
SCHEMBL894013 0.93 ATM (0.67) L3MBTL1MAPTTSHRATMFKBP1A
SCHEMBL894018 0.91 TSHR (0.59) L3MBTL1MAPTTSHRATMFKBP1A
SCHEMBL894313 0.91 ALDH1A1 (0.62) L3MBTL1MAPTTSHRATMFKBP1A
SCHEMBL893894 0.91 TSHR (0.61) L3MBTL1MAPTTSHRATMFKBP1A
SCHEMBL894002 0.91 TSHR (0.61) L3MBTL1MAPTTSHRATMFKBP1A
SCHEMBL893740 0.91 TSHR (0.61) L3MBTL1MAPTTSHRATMFKBP1A
SCHEMBL893322 0.91 POLB (0.64) L3MBTL1MAPTTSHRATMFKBP1A
SCHEMBL893166 0.90 USP2 (0.60) TSHRATMRAB9AGAA
SCHEMBL893802 0.90 TSHR (0.58) L3MBTL1MAPTTSHRATMFKBP1A

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 L3MBTL1 3677/4885MAPT 1004/4885TSHR 2952/4885

“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.