SCHEMBL322331

SCHEMBL322331

Oc1ccc(-c2cccc(C(F)(F)F)c2)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORB Q92753 4/20 0.52
RORC P51449 3/20 0.52
ESR1 P03372 8/20 0.51
ESR2 Q92731 6/20 0.51
MAPT P10636 1/20 0.47
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46
AKR1C3 P42330 2/20 0.43
AKR1C2 P52895 2/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL28146422 0.81 AKR1C3 (0.43) RORBRORCESR1ESR2MAPT
SCHEMBL27387421 0.81 ADORA2A (0.46) RORBRORCESR1ESR2AKR1C3
SCHEMBL1857166 0.80 ALOX15 (0.49) RORBRORCESR1ESR2MAPT
SCHEMBL1262766 0.80 RORB (0.66) RORBRORCMAPTTHRB
SCHEMBL1893984 0.78 AKR1C3 (0.44) RORBRORCESR1ESR2MAPT
SCHEMBL322888 0.78 ESR2 (0.56) ESR1ESR2MAPTHSD17B1HSD17B2
SCHEMBL322142 0.77 RORB (0.49) RORBRORCMAPTAKR1C3AKR1C2
SCHEMBL30679637 0.77 RORB (0.49) RORBRORCMAPTAKR1C3AKR1C2
SCHEMBL1802275 0.77 MAPT (0.46) RORBRORCMAPTAKR1C3AKR1C2
SCHEMBL1029849 0.77 HSD17B1 (0.58) ESR1ESR2MAPTHSD17B1HSD17B2

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 RORB 1724/4885RORC 1898/4885ESR1 2895/4885

“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.