SCHEMBL3374437

SCHEMBL3374437

CS(=O)(=O)Nc1ccc(-c2ccccc2OC(F)(F)F)c(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.57
CYP17A1 P05093 7/20 0.57
FABP4 P15090 1/20 0.47
FABP5 Q01469 1/20 0.47
KIF11 P52732 2/20 0.46
SLC22A12 Q96S37 2/20 0.44
BRD4 O60885 1/20 0.44
NR3C1 P04150 1/20 0.44
AR P10275 1/20 0.44
S1PR1 P21453 1/20 0.43
AURKA O14965 1/20 0.43
KDR P35968 1/20 0.43
AURKB Q96GD4 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
SCHEMBL3379323 0.86 CYP17A1 (0.60) RORCCYP17A1FABP4FABP5KIF11
SCHEMBL3375982 0.85 RORC (0.58) RORCCYP17A1FABP4FABP5KIF11
SCHEMBL3372908 0.79 KIF11 (0.68) CYP17A1KIF11NR3C1AR
SCHEMBL3378380 0.78 KIF11 (0.53) CYP17A1KIF11SLC22A12NR3C1AR
SCHEMBL24032696 0.76 RORC (0.84) RORC
SCHEMBL30320951 0.76 RORC (0.84) RORC
SCHEMBL4661124 0.75 CYP17A1 (0.60) CYP17A1KIF11NR3C1AR
SCHEMBL24032222 0.73 RORC (0.59) RORC
SCHEMBL27660142 0.73 HSD11B1 (0.62) RORCS1PR1
SCHEMBL19914408 0.73 KIF11 (0.55) CYP17A1KIF11SLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 RORC 2981/4885CYP17A1 3984/4885FABP4 1067/4885

“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.