SCHEMBL894102

SCHEMBL894102

O=C(NCc1cccc(-c2ccc(N3CCOCC3)nc2)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
TRPA1 O75762 10/20 0.54
ATM Q13315 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.47
SRC P12931 1/20 0.46
MAPT P10636 1/20 0.46
FKBP1A P62942 1/20 0.46
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL893715 0.90 TSHR (0.56) TSHRTRPA1ATMSMN1; SMN2SRC
SCHEMBL18236473 0.88 TRPA1 (0.56) TRPA1
SCHEMBL18223739 0.88 TRPA1 (0.56) TRPA1
SCHEMBL893652 0.87 TSHR (0.64) TSHRTRPA1ATMMAPTFKBP1A
SCHEMBL893758 0.86 TRPA1 (0.71) TSHRTRPA1ATM
SCHEMBL893990 0.86 TSHR (0.61) TSHRTRPA1ATM
SCHEMBL893820 0.85 TSHR (0.55) TSHRTRPA1ATMSMN1; SMN2MAPT
SCHEMBL894797 0.84 TSHR (0.58) TSHRTRPA1ATMMAPTFKBP1A
SCHEMBL893673 0.84 TSHR (0.58) TSHRTRPA1ATMFKBP1AL3MBTL1
SCHEMBL894013 0.83 ATM (0.67) TSHRTRPA1ATMMAPTFKBP1A

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 7 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 claimed
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US claimed
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 2952/4885TRPA1 1/4885ATM 2689/4885

“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.