SCHEMBL893870

SCHEMBL893870

O=C(NCc1cccc(-c2ccc(C(F)(F)F)c(F)c2)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.59
TSHR P16473 1/20 0.57
TRPA1 O75762 8/20 0.57
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 1/20 0.51
FKBP1A P62942 1/20 0.50
THRB P10828 1/20 0.49
MAPT P10636 2/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL893440 0.92 TSHR (0.56) ATMTSHRTRPA1L3MBTL1POLB
SCHEMBL893040 0.90 TSHR (0.59) ATMTSHRTRPA1L3MBTL1POLB
SCHEMBL894138 0.89 TSHR (0.60) ATMTSHRTRPA1L3MBTL1POLB
SCHEMBL894433 0.88 ATM (0.59) ATMTSHRTRPA1L3MBTL1POLB
SCHEMBL893740 0.88 TSHR (0.61) ATMTSHRTRPA1L3MBTL1POLB
SCHEMBL10202151 0.88 ATM (0.63) ATMTSHRTRPA1L3MBTL1POLB
SCHEMBL893887 0.88 ATM (0.56) ATMTSHRTRPA1L3MBTL1POLB
SCHEMBL894013 0.88 ATM (0.67) ATMTSHRTRPA1L3MBTL1POLB
SCHEMBL893758 0.87 TRPA1 (0.71) ATMTSHRTRPA1
SCHEMBL893028 0.86 TSHR (0.61) ATMTSHRTRPA1L3MBTL1POLB

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 ATM 2689/4885TSHR 2952/4885TRPA1 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.