SCHEMBL3376489

SCHEMBL3376489

CS(=O)(=O)Nc1ccc(-c2ccc(Oc3ccc(F)cc3)cc2)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.56
KIF11 P52732 3/20 0.45
BCL2L1 Q07817 1/20 0.45
MCL1 Q07820 1/20 0.45
ACLY P53396 1/20 0.41
PTGS2 P35354 2/20 0.40
PTGS1 P23219 1/20 0.40
PGR P06401 2/20 0.40
BRD4 O60885 1/20 0.40
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
NR3C1 P04150 1/20 0.39
NR3C2 P08235 1/20 0.39
AR P10275 1/20 0.39
EGFR P00533 1/20 0.39
PIK3CA P42336 1/20 0.39
SOS1 Q07889 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL3375889 0.88 PGR (0.55) SCN9AKIF11BCL2L1MCL1ACLY
SCHEMBL3377558 0.80 PTGS2 (0.50) KIF11PTGS2PTGS1KDM1AMAOA
SCHEMBL3379326 0.80 EPHX2 (0.46) SCN9AKIF11MAOAPIK3CAKMT2A
SCHEMBL16492686 0.79 KMT2A (0.55) ACLYPTGS2PTGS1NR3C1NR3C2
SCHEMBL3378362 0.78 KMT2A (0.46) SCN9AKIF11PTGS2PGRBRD4
SCHEMBL3379358 0.77 SCN9A (0.47) SCN9AKIF11BCL2L1MCL1PGR
SCHEMBL4659924 0.76 KIF11 (0.74) KIF11
SCHEMBL3314859 0.73 PGR (0.71) SCN9AKIF11PGRNR3C2AR
SCHEMBL3377340 0.72 PGR (0.56) KIF11MCL1PTGS2PTGS1PGR
SCHEMBL9953675 0.72 SCN9A (1.00) SCN9A

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 SCN9A 70/4885KIF11 3561/4885BCL2L1 2384/4885

“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.