SCHEMBL3374264

SCHEMBL3374264

COc1cc(NS(C)(=O)=O)ccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.62
PSEN1 P49768 1/20 0.53
PSEN2 P49810 1/20 0.53
APH1B Q8WW43 1/20 0.53
NCSTN Q92542 1/20 0.53
APH1A Q96BI3 1/20 0.53
PSENEN Q9NZ42 1/20 0.53
CYP17A1 P05093 9/20 0.52
MEN1 O00255 1/20 0.51
ALOX15 P16050 1/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 1/20 0.51
AKR1C3 P42330 1/20 0.51
AKR1C2 P52895 1/20 0.51
KDM1A O60341 1/20 0.51
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
PLAU P00749 1/20 0.49
SLC22A12 Q96S37 1/20 0.48

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
SCHEMBL5528899 0.88 KIF11 (0.68) KIF11PSEN1PSEN2APH1BNCSTN
SCHEMBL3375960 0.85 CYP17A1 (0.56) CYP17A1KDM1APLAU
SCHEMBL3378630 0.85 KIF11 (0.67) KIF11CYP17A1KDM1APLAU
SCHEMBL21180017 0.83 CYP17A1 (0.59) CYP17A1MEN1KMT2AKDM1APLAU
SCHEMBL3378288 0.82 KIF11 (0.59) KIF11CYP17A1KDM1APLAU
SCHEMBL4662605 0.82 KIF11 (0.68) KIF11CYP17A1SLC6A2SLC6A4SLC6A3
SCHEMBL3378781 0.82 KIF11 (0.68) KIF11CYP17A1SLC6A2SLC6A4SLC6A3
SCHEMBL3378328 0.82 KIF11 (0.75) KIF11AKR1C3AKR1C2SLC6A2SLC6A4
SCHEMBL29788285 0.82 CYP17A1 (0.60) CYP17A1MEN1KMT2AKDM1APLAU
SCHEMBL3375971 0.81 KIF11 (0.66) KIF11MAPK1SLC6A2SLC6A4SLC6A3

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 5 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-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 3561/4885PSEN1 697/4885PSEN2 866/4885

“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.