SCHEMBL894013

SCHEMBL894013

O=C(NCc1cccc(-c2ccccc2)c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.67
TSHR P16473 1/20 0.65
FKBP1A P62942 4/20 0.62
MMP2 P08253 1/20 0.59
MMP9 P14780 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.57
POLB P06746 1/20 0.57
ALDH1A1 P00352 1/20 0.55
TRPA1 O75762 1/20 0.54
MAPT P10636 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
KMT2A Q03164 1/20 0.54
LMNA P02545 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
SCHEMBL894155 0.93 L3MBTL1 (0.64) ATMTSHRFKBP1AMMP2MMP9
SCHEMBL893028 0.93 TSHR (0.61) ATMTSHRFKBP1AMMP2MMP9
SCHEMBL894002 0.93 TSHR (0.61) ATMTSHRFKBP1AMMP2MMP9
SCHEMBL893894 0.93 TSHR (0.61) ATMTSHRFKBP1AMMP2MMP9
SCHEMBL893740 0.93 TSHR (0.61) ATMTSHRFKBP1AMMP2MMP9
SCHEMBL893322 0.93 POLB (0.64) ATMTSHRFKBP1AMMP2MMP9
SCHEMBL894313 0.91 ALDH1A1 (0.62) ATMTSHRFKBP1AMMP2MMP9
SCHEMBL894018 0.91 TSHR (0.59) ATMTSHRFKBP1AMMP2MMP9
SCHEMBL893898 0.91 TSHR (0.59) ATMTSHRFKBP1AMMP2MMP9
SCHEMBL893040 0.91 TSHR (0.59) ATMTSHRFKBP1AMMP2MMP9

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 2952/4885FKBP1A 1198/4885

“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.