SCHEMBL3375693

SCHEMBL3375693

CS(=O)(=O)Nc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.54
EPHX2 P34913 4/20 0.51
NR1H4 Q96RI1 4/20 0.51
BRD4 O60885 1/20 0.49
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP17A1 P05093 3/20 0.43
NPY5R Q15761 1/20 0.42
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
PPARG P37231 1/20 0.41
MET P08581 1/20 0.41

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
SCHEMBL3375971 0.89 KIF11 (0.66) KIF11EPHX2NR1H4GAAHPGD
SCHEMBL3375688 0.88 KIF11 (0.56) KIF11EPHX2NR1H4BRD4GAA
SCHEMBL4661074 0.83 KIF11 (0.66) KIF11EPHX2NR1H4
SCHEMBL3374111 0.81 GAA (0.50) KIF11EPHX2NR1H4BRD4GAA
SCHEMBL3377569 0.81 KIF11 (0.51) KIF11EPHX2NR1H4GAAHPGD
SCHEMBL3377398 0.80 EPHX2 (0.51) KIF11EPHX2NR1H4GAAHPGD
SCHEMBL3379785 0.80 GAA (0.49) KIF11EPHX2NR1H4GAAHPGD
SCHEMBL3378774 0.79 KIF11 (0.55) KIF11EPHX2NR1H4GAAHPGD
SCHEMBL3378764 0.78 PTGS2 (0.51) KIF11GAAHPGDMAPK1CYP17A1
SCHEMBL3378931 0.78 KIF11 (0.67) KIF11GAAHPGDMAPK1CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389500-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2013-03-05 US claimed
WO-2010056527-A2 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-20 WO claimed
US-20100113449-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-06 US claimed
US-8389500-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2013-03-05 US disclosed
US-8389500-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2013-03-05 US disclosed
US-8389500-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2013-03-05 US disclosed
US-20100113449-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-06 US disclosed
US-20100113449-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-06 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-20100113449-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, HCN4, KCNH2 KIF11 3561/4885EPHX2 1898/4885NR1H4 2215/4885

“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.