SCHEMBL3376946

SCHEMBL3376946

COc1cc(NS(C)(=O)=O)ccc1-c1ccc(Cl)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 10/20 0.51
KIT P10721 1/20 0.47
KDM1A O60341 1/20 0.46
NR3C1 P04150 2/20 0.45
PTGS2 P35354 1/20 0.45
PLAU P00749 1/20 0.45
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
HTT P42858 1/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SCN9A Q15858 1/20 0.44
KIF11 P52732 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
SCHEMBL3379148 0.90 KDM1A (0.55) CYP17A1KITKDM1ANR3C1PTGS2
SCHEMBL3377400 0.85 KIF11 (0.48) CYP17A1KITNR3C1PTGS2SCN9A
SCHEMBL3376954 0.85 KIF11 (0.48) CYP17A1KITNR3C1PTGS2SCN9A
SCHEMBL3375960 0.83 CYP17A1 (0.56) CYP17A1KITKDM1ANR3C1PLAU
SCHEMBL3378288 0.83 KIF11 (0.59) CYP17A1KDM1ANR3C1PLAUKIF11
SCHEMBL3375785 0.80 KIF11 (0.59) CYP17A1NR3C1MAPTSCN9AKIF11
SCHEMBL3377016 0.80 KIF11 (0.64) PTGS2ALDH1A1LMNAHTTSCN9A
SCHEMBL3932771 0.79 KIF11 (0.50) CYP17A1KITMEN1ALDH1A1LMNA
SCHEMBL21180017 0.79 CYP17A1 (0.59) CYP17A1KDM1ANR3C1PTGS2PLAU
SCHEMBL23675899 0.78 CYP17A1 (0.57) CYP17A1KDM1ANR3C1PTGS2PLAU

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 CYP17A1 3984/4885KIT 4087/4885KDM1A 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.