SCHEMBL3378288

SCHEMBL3378288

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

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.59
CYP17A1 P05093 11/20 0.54
KDM1A O60341 1/20 0.54
NR3C1 P04150 2/20 0.54
PLAU P00749 1/20 0.52
IKBKB O14920 1/20 0.48
CHUK O15111 1/20 0.48
PGR P06401 1/20 0.47
NR3C2 P08235 1/20 0.47
BRD4 O60885 1/20 0.46

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
SCHEMBL21180017 0.87 CYP17A1 (0.59) CYP17A1KDM1ANR3C1PLAUPGR
SCHEMBL23675899 0.86 CYP17A1 (0.57) CYP17A1KDM1ANR3C1PLAUPGR
SCHEMBL3375960 0.86 CYP17A1 (0.56) CYP17A1KDM1ANR3C1PLAUPGR
SCHEMBL29788285 0.85 CYP17A1 (0.60) CYP17A1KDM1ANR3C1PLAUPGR
SCHEMBL3376946 0.83 CYP17A1 (0.51) KIF11CYP17A1KDM1ANR3C1PLAU
SCHEMBL3374264 0.82 KIF11 (0.62) KIF11CYP17A1KDM1APLAU
SCHEMBL2038889 0.82 CYP17A1 (0.51) CYP17A1KDM1ANR3C1PLAUPGR
SCHEMBL3378931 0.82 KIF11 (0.67) KIF11CYP17A1IKBKBCHUK
SCHEMBL3378630 0.80 KIF11 (0.67) KIF11CYP17A1KDM1APLAU
SCHEMBL791519 0.80 KIF11 (0.55) KIF11CYP17A1KDM1ANR3C1IKBKB

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 KIF11 3561/4885CYP17A1 3984/4885KDM1A 2716/4885

“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.