SCHEMBL3375898

SCHEMBL3375898

CS(=O)(=O)Nc1ccc(-c2cccc(C(F)(F)F)c2)c(F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.58
NPY5R Q15761 1/20 0.54
AKR1C3 P42330 2/20 0.51
AKR1C2 P52895 2/20 0.51
ALOX5AP P20292 2/20 0.45
FEN1 P39748 2/20 0.45
BRD4 O60885 1/20 0.45
PGR P06401 1/20 0.44
FFAR1 O14842 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CDK7 P50613 1/20 0.44
CCNH P51946 1/20 0.44
CCNA1 P78396 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
MAPT P10636 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
SCHEMBL3375688 0.86 KIF11 (0.56) KIF11NPY5RBRD4FFAR1CDK1
SCHEMBL3378328 0.85 KIF11 (0.75) KIF11AKR1C3AKR1C2ALOX5APFEN1
SCHEMBL4662560 0.82 KIF11 (0.68) KIF11ALOX5APFEN1
SCHEMBL3374813 0.82 KIF11 (0.74) KIF11NPY5RHSD17B2
SCHEMBL29788021 0.82 CYP17A1 (0.54) KIF11PGRCYP1A2CYP3A4MAPT
SCHEMBL13369737 0.82 CYP17A1 (0.54) KIF11PGRCYP1A2CYP3A4MAPT
SCHEMBL3376629 0.81 KIF11 (0.54) KIF11SCN9A
SCHEMBL12313373 0.80 KIF11 (0.69) KIF11NPY5RBRD4FFAR1CDK1
SCHEMBL4661054 0.75 KIF11 (0.56) KIF11ALOX5APFEN1
SCHEMBL29788210 0.75 BRD4 (0.56) KIF11BRD4CYP1A2CYP3A4MAPT

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 3561/4885NPY5R 746/4885AKR1C3 677/4885

“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.