SCHEMBL4912936

SCHEMBL4912936

COC(=O)c1ccc([C@@H]2C[C@@H]2C(F)(F)F)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.40
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GLA P06280 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
ATM Q13315 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SLC6A2 P23975 6/20 0.37
SLC6A4 P31645 6/20 0.37
SLC6A3 Q01959 6/20 0.37
CHRNA1 P02708 3/20 0.37
CHRNG P07510 3/20 0.37
ITGA5 P08648 3/20 0.37

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
SCHEMBL14197190 1.00 CFTR (0.40) CFTRKDM4EALDH1A1GAAPOLB
SCHEMBL4907621 1.00 CFTR (0.40) CFTRKDM4EALDH1A1GAAPOLB
SCHEMBL14197193 1.00 CFTR (0.40) CFTRKDM4EALDH1A1GAAPOLB
SCHEMBL4907622 1.00 CFTR (0.40) CFTRKDM4EALDH1A1GAAPOLB
SCHEMBL4909081 0.84 RXRB (0.46) KDM4EALDH1A1HPGDATMHSD17B10
SCHEMBL14197189 0.84 RXRB (0.46) KDM4EALDH1A1HPGDATMHSD17B10
SCHEMBL14197188 0.84 RXRB (0.46) KDM4EALDH1A1HPGDATMHSD17B10
SCHEMBL4908072 0.84 RXRB (0.46) KDM4EALDH1A1HPGDATMHSD17B10
SCHEMBL20556211 0.79 SLC6A3 (0.43) KDM4EALDH1A1GAAGLAMAPT
SCHEMBL4899708 0.77 RAB9A (0.51) KDM4EALDH1A1GAAPOLB

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-20080096919-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. 2008-04-24 US disclosed
US-7312233-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2007-12-25 US disclosed
US-20060205773-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2006-09-14 US 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 (2 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-20060205773-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 CFTR 141/4885KDM4E 4112/4885ALDH1A1 1821/4885
US-20080096919-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 CFTR 141/4885KDM4E 4112/4885ALDH1A1 1821/4885

“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.