SCHEMBL3583117

SCHEMBL3583117

COC(=O)c1ccc(/C=C/C(F)(F)F)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.44
CFTR P13569 1/20 0.42
PTPN1 P18031 1/20 0.42
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
ATM Q13315 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NOTUM Q6P988 2/20 0.39
PRF1 P14222 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
PDK2 Q15119 1/20 0.38

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
SCHEMBL3583121 1.00 PTGS2 (0.44) PTGS2CFTRPTPN1ALDH1A1KDM4E
SCHEMBL3581214 0.87 PTGS2 (0.46) PTGS2CFTRPTPN1ALDH1A1KDM4E
SCHEMBL3581218 0.87 PTGS2 (0.46) PTGS2CFTRPTPN1ALDH1A1KDM4E
SCHEMBL30417825 0.84 ALDH1A1 (0.47) PTGS2ALDH1A1KDM4EGAAMAPT
SCHEMBL3596647 0.84 ALDH1A1 (0.47) PTGS2ALDH1A1KDM4EGAAMAPT
SCHEMBL3584872 0.84 ALDH1A1 (0.47) PTGS2ALDH1A1KDM4EGAAMAPT
SCHEMBL3584869 0.84 ALDH1A1 (0.47) PTGS2ALDH1A1KDM4EGAAMAPT
SCHEMBL20523419 0.83 PTGS2 (0.48) PTGS2CFTRPTPN1ALDH1A1KDM4E
SCHEMBL3577550 0.83 RXRB (0.48) PTGS2PTPN1ALDH1A1KDM4EHPGD
SCHEMBL5165719 0.83 RXRB (0.48) PTGS2PTPN1ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. (US) 2010-01-07 US disclosed
EP-1954132-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2008-08-13 EP disclosed
WO-2007100758-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-09-07 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-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 PTGS2 211/4885CFTR 147/4885PTPN1 2094/4885

“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.