SCHEMBL894138

SCHEMBL894138

O=C(NCc1cccc(-c2cccc(C(F)(F)F)c2)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
ATM Q13315 1/20 0.59
TRPA1 O75762 8/20 0.57
HCRTR1 O43613 2/20 0.54
HCRTR2 O43614 2/20 0.54
FKBP1A P62942 1/20 0.52
POLB P06746 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 2/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL13571127 0.94 TSHR (0.64) TSHRATMTRPA1HCRTR1HCRTR2
SCHEMBL893040 0.94 TSHR (0.59) TSHRATMTRPA1HCRTR1HCRTR2
SCHEMBL894013 0.90 ATM (0.67) TSHRATMTRPA1FKBP1APOLB
SCHEMBL893870 0.89 ATM (0.59) TSHRATMTRPA1FKBP1APOLB
SCHEMBL893758 0.88 TRPA1 (0.71) TSHRATMTRPA1
SCHEMBL894118 0.88 TRPA1 (0.65) TSHRATMTRPA1
SCHEMBL893440 0.87 TSHR (0.56) TSHRATMTRPA1FKBP1APOLB
SCHEMBL894433 0.87 ATM (0.59) TSHRATMTRPA1FKBP1APOLB
SCHEMBL893833 0.87 TSHR (0.57) TSHRATMTRPA1HCRTR1HCRTR2
SCHEMBL13570949 0.87 FKBP1A (0.60) TSHRATMHCRTR1HCRTR2FKBP1A

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 2689/4885TRPA1 1/4885

“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.