SCHEMBL894043

SCHEMBL894043

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

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.66
ATM Q13315 1/20 0.66
TP53 P04637 1/20 0.59
FKBP1A P62942 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
POLB P06746 1/20 0.56
MAPT P10636 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
KMT2A Q03164 1/20 0.55
LMNA P02545 1/20 0.54
THRB P10828 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
TRPA1 O75762 1/20 0.53

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
SCHEMBL13570667 1.00 TSHR (0.66) TSHRATMTP53FKBP1AL3MBTL1
SCHEMBL13571407 0.91 FKBP1A (0.64) ATMFKBP1AL3MBTL1POLBMAPT
SCHEMBL13571408 0.91 FKBP1A (0.64) ATMFKBP1AL3MBTL1POLBMAPT
SCHEMBL893740 0.90 TSHR (0.61) TSHRATMFKBP1AL3MBTL1POLB
SCHEMBL15832927 0.89 TSHR (0.67) TSHRATMFKBP1AL3MBTL1POLB
SCHEMBL13736525 0.88 TSHR (0.66) TSHRATMFKBP1AL3MBTL1POLB
SCHEMBL13570810 0.88 TSHR (0.66) TSHRATMFKBP1AL3MBTL1POLB
SCHEMBL13738317 0.88 KMT2A (0.71) TSHRATMFKBP1AL3MBTL1POLB
SCHEMBL15833072 0.88 TSHR (0.66) TSHRATMFKBP1AL3MBTL1POLB
SCHEMBL13570808 0.88 TSHR (0.66) TSHRATMFKBP1AL3MBTL1POLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 US disclosed
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
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 2689/4885TP53 3818/4885

“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.