SCHEMBL1285387

SCHEMBL1285387

Cc1cc([C@@H](C)NC(=O)c2ccc3nc(C(C)(C)C(F)(F)F)ccc3c2)ccc1NS(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.39
CA2 P00918 2/20 0.38
RORC P51449 1/20 0.36
PDE2A O00408 1/20 0.35
NR1I2 O75469 1/20 0.35
CYP2C9 P11712 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL1285311 0.92 TRPV1 (0.45) TRPV1CA2
SCHEMBL1284707 0.91 MEN1 (0.40) TRPV1CA2
SCHEMBL1644118 0.87 RORC (0.36) CA2RORCPDE2ANR1I2CYP2C9
SCHEMBL1285056 0.86 TRPV1 (0.34) TRPV1PDE2A
SCHEMBL1285475 0.83 KDM4E (0.39) TRPV1CA2PDE2AKDM4EALDH1A1
SCHEMBL1285062 0.81 PTPN1 (0.44) TRPV1PDE2A
SCHEMBL1285051 0.80 TRPV1 (0.42) TRPV1PDE2A
SCHEMBL1285251 0.80 HSF1 (0.39) TRPV1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1284683 0.80 NR1H4 (0.47) TRPV1
SCHEMBL1285010 0.79 KMT2A (0.44) KDM4EALDH1A1HPGDHSD17B10

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-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 US claimed
US-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 US disclosed
US-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 US disclosed
US-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 US disclosed
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 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-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 TRPV1 1/4885CA2 277/4885RORC 2710/4885

“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.