SCHEMBL893715

SCHEMBL893715

O=C(NCc1cccc(-c2ccc(N3CCOCC3)cc2)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
ATM Q13315 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.54
TRPA1 O75762 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 2/20 0.49
FKBP1A P62942 1/20 0.49
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
POLB P06746 1/20 0.48
SRC P12931 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
THRB P10828 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
SCHEMBL893578 0.93 L3MBTL1 (0.62) TSHRATML3MBTL1TRPA1SMN1; SMN2
SCHEMBL894377 0.91 TSHR (0.56) TSHRATML3MBTL1TRPA1SMN1; SMN2
SCHEMBL893820 0.90 TSHR (0.55) TSHRATML3MBTL1TRPA1SMN1; SMN2
SCHEMBL894102 0.90 TSHR (0.57) TSHRATML3MBTL1TRPA1SMN1; SMN2
SCHEMBL894013 0.89 ATM (0.67) TSHRATML3MBTL1TRPA1MAPT
SCHEMBL893028 0.87 TSHR (0.61) TSHRATML3MBTL1TRPA1SMN1; SMN2
SCHEMBL893894 0.87 TSHR (0.61) TSHRATML3MBTL1TRPA1SMN1; SMN2
SCHEMBL893322 0.87 POLB (0.64) TSHRATML3MBTL1TRPA1SMN1; SMN2
SCHEMBL893740 0.87 TSHR (0.61) TSHRATML3MBTL1TRPA1MAPT
SCHEMBL894155 0.87 L3MBTL1 (0.64) TSHRATML3MBTL1TRPA1MAPT

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 2689/4885L3MBTL1 3677/4885

“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.