SCHEMBL327248

SCHEMBL327248

CN(C)/C=C/C(=O)c1cc(-c2ccc(C(F)(F)F)cc2)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.60
ALDH1A1 P00352 1/20 0.51
KDM4E B2RXH2 1/20 0.43
SLC6A2 P23975 1/20 0.40
P2RY14 Q15391 1/20 0.40
KIF11 P52732 3/20 0.40
CXCL12 P48061 1/20 0.39
MCL1 Q07820 2/20 0.39
HTT P42858 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
P2RX1 P51575 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
DHFR P00374 1/20 0.38
HNF4A P41235 1/20 0.38
ACMSD Q8TDX5 1/20 0.38
RECQL P46063 1/20 0.38
P2RX4 Q99571 1/20 0.38
P2RX7 Q99572 1/20 0.38
TMPRSS4 Q9NRS4 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
SCHEMBL1690563 1.00 GAA (0.60) GAAALDH1A1KDM4ESLC6A2P2RY14
SCHEMBL320250 0.89 GAA (0.70) GAAALDH1A1KDM4ECXCL12HTT
SCHEMBL30904841 0.89 GAA (0.70) GAAALDH1A1KDM4ECXCL12HTT
SCHEMBL320249 0.89 GAA (0.70) GAAALDH1A1KDM4ECXCL12HTT
SCHEMBL30963310 0.83 ACMSD (0.57) GAAALDH1A1MCL1DHFRHNF4A
SCHEMBL28990306 0.83 ACMSD (0.57) GAAALDH1A1MCL1DHFRHNF4A
SCHEMBL17709109 0.81 GAA (0.74) GAAALDH1A1KDM4EHTTCYP1A2
SCHEMBL31083945 0.81 GAA (0.74) GAAALDH1A1KDM4EHTTCYP1A2
SCHEMBL17709107 0.81 GAA (0.74) GAAALDH1A1KDM4EHTTCYP1A2
SCHEMBL1690541 0.80 GAA (0.46) GAAALDH1A1MCL1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590951-B1 BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS PFIZER LTD (GB) 2015-01-07 EP disclosed
EP-2590951-B1 BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS PFIZER LTD (GB) 2015-01-07 EP disclosed
US-8772293-B2 Chemical compounds PFIZER LIMITED (GB) 2014-07-08 US disclosed
US-8772293-B2 Chemical compounds PFIZER LIMITED (GB) 2014-07-08 US disclosed
US-8772293-B2 Chemical compounds PFIZER LIMITED (GB) 2014-07-08 US disclosed
EP-2590951-A1 BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS Pfizer Limited (GB) 2013-05-15 EP disclosed
WO-2012004743-A1 BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS PFIZER LIMITED (GB) 2012-01-12 WO disclosed
WO-2012004743-A1 BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS PFIZER LIMITED (GB) 2012-01-12 WO disclosed
US-20120010182-A1 Chemical Compounds ICAGEN INC. (US) 2012-01-12 US disclosed
US-20120010182-A1 Chemical Compounds ICAGEN INC. (US) 2012-01-12 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 (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-20120010182-A1 Chemical Compounds SCN1A, SCN1B, CACNA1E GAA 3218/4885ALDH1A1 557/4885KDM4E 2518/4885

“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.