SCHEMBL893166

SCHEMBL893166

COc1ccc(-c2cccc(CNC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.60
GAA P10253 1/20 0.60
HCRTR1 O43613 9/20 0.59
HCRTR2 O43614 9/20 0.59
PKM P14618 2/20 0.59
TSHR P16473 2/20 0.58
ATM Q13315 1/20 0.58
LMNA P02545 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
KCNQ1 P51787 1/20 0.55
RAB9A P51151 1/20 0.54

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 0.90 L3MBTL1 (0.64) GAATSHRATMRAB9A
SCHEMBL893028 0.90 TSHR (0.61) HCRTR1HCRTR2PKMTSHRATM
SCHEMBL13570495 0.90 PKM (0.72) USP2GAAHCRTR1HCRTR2PKM
SCHEMBL894013 0.90 ATM (0.67) TSHRATMLMNA
SCHEMBL893874 0.90 TRPA1 (0.58) USP2GAAHCRTR1HCRTR2PKM
SCHEMBL894018 0.89 TSHR (0.59) HCRTR1HCRTR2PKMTSHRATM
SCHEMBL894313 0.89 ALDH1A1 (0.62) PKMTSHRATM
SCHEMBL893043 0.89 TSHR (0.57) USP2GAAHCRTR1HCRTR2PKM
SCHEMBL893740 0.89 TSHR (0.61) HCRTR1HCRTR2TSHRATMLMNA
SCHEMBL893894 0.89 TSHR (0.61) PKMTSHRATMLMNA

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 USP2 3472/4885GAA 3240/4885HCRTR1 168/4885

“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.