SCHEMBL323648

SCHEMBL323648

CC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.48
P2RX1 P51575 3/20 0.48
TMPRSS4 Q9NRS4 2/20 0.48
P2RX4 Q99571 1/20 0.48
P2RX7 Q99572 1/20 0.48
SLC6A2 P23975 1/20 0.48
P2RY14 Q15391 1/20 0.48
MCL1 Q07820 3/20 0.47
ACMSD Q8TDX5 2/20 0.46
DHFR P00374 1/20 0.46
HNF4A P41235 1/20 0.46
CHUK O15111 1/20 0.45
ADORA3 P0DMS8 1/20 0.43
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
GSTA1 P08263 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL30062195 0.86 CES2 (0.52) P2RX1TMPRSS4P2RX4P2RX7CHUK
SCHEMBL320481 0.86 CES2 (0.52) P2RX1TMPRSS4P2RX4P2RX7CHUK
SCHEMBL330660 0.85 ACMSD (0.66) KIF11SLC6A2P2RY14MCL1ACMSD
SCHEMBL5927653 0.83 KIF11 (0.48) KIF11P2RX1TMPRSS4P2RX4P2RX7
SCHEMBL8336975 0.83 CHUK (0.66) KIF11P2RX1TMPRSS4P2RX4P2RX7
SCHEMBL8334656 0.83 TMPRSS4 (0.51) KIF11P2RX1TMPRSS4P2RX4P2RX7
SCHEMBL17732180 0.80 KIF11 (0.54) KIF11
SCHEMBL2272143 0.80 RXRB (0.60) KIF11
SCHEMBL11110135 0.79 MCL1 (0.73) MCL1ACMSDDHFRHNF4ACHUK
SCHEMBL18231987 0.79 MCL1 (0.73) MCL1ACMSDDHFRHNF4AGSTA1

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 11 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
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 KIF11 3321/4885P2RX1 118/4885TMPRSS4 1900/4885

“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.