SCHEMBL3378764

SCHEMBL3378764

CS(=O)(=O)Nc1ccc(-c2ccc(F)cc2)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.51
KIF11 P52732 2/20 0.50
HPGD P15428 2/20 0.50
MAPK1 P28482 2/20 0.50
GAA P10253 1/20 0.50
KIT P10721 2/20 0.48
HSD17B3 P37058 1/20 0.47
HSD17B2 P37059 1/20 0.47
CYP17A1 P05093 1/20 0.46
MAP2K4 P45985 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
TSHR P16473 2/20 0.44
TNIK Q9UKE5 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
NR3C1 P04150 1/20 0.44

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
SCHEMBL3374111 0.88 GAA (0.50) KIF11HPGDMAPK1GAAKIT
SCHEMBL3375774 0.88 GAA (0.52) KIF11HPGDMAPK1GAAKIT
SCHEMBL3378931 0.88 KIF11 (0.67) PTGS2KIF11HPGDMAPK1GAA
SCHEMBL3376954 0.85 KIF11 (0.48) PTGS2KIF11HPGDMAPK1GAA
SCHEMBL3374747 0.85 KIF11 (0.51) PTGS2KIF11HPGDMAPK1GAA
SCHEMBL3377083 0.85 PTGS2 (0.52) PTGS2KIF11HPGDMAPK1GAA
SCHEMBL3378891 0.84 SLC22A12 (0.52) KIF11HPGDMAPK1GAACYP17A1
SCHEMBL3375971 0.84 KIF11 (0.66) KIF11HPGDMAPK1GAA
SCHEMBL3379785 0.84 GAA (0.49) KIF11HPGDMAPK1GAAKIT
SCHEMBL3377007 0.84 KIT (0.51) KIF11HPGDMAPK1GAAKIT

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 6 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
WO-2010056527-A2 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-20 WO 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 PTGS2 439/4885KIF11 3561/4885HPGD 633/4885

“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.