SCHEMBL3379317

SCHEMBL3379317

CS(=O)(=O)Nc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1OC(F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.65
ABL1 P00519 9/20 0.47
BCR P11274 1/20 0.47
TRPV1 Q8NER1 1/20 0.45
PGR P06401 1/20 0.45
FFAR4 Q5NUL3 1/20 0.43
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PTGS2 P35354 1/20 0.40
SCN5A Q14524 1/20 0.40
EPHX2 P34913 1/20 0.40
NR1H4 Q96RI1 1/20 0.40

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
SCHEMBL3374335 0.89 KIF11 (0.51) KIF11ABL1TRPV1PGRLMNA
SCHEMBL3376638 0.88 PTGES2 (0.50) KIF11ABL1PGR
SCHEMBL3376561 0.88 KIF11 (0.61) KIF11PGR
SCHEMBL3375802 0.82 KIF11 (0.43) KIF11PGRLMNAHPGDHSD17B10
SCHEMBL3379363 0.82 KIF11 (0.52) KIF11ABL1PGR
SCHEMBL16887440 0.80 MRGPRX1 (0.47) KIF11PGRFFAR4LMNAHPGD
SCHEMBL3378495 0.79 KIF11 (1.00) KIF11ABL1BCRPGRLMNA
SCHEMBL15220190 0.78 IDH1 (0.47) KIF11PGRPTGS2
SCHEMBL18088805 0.77 KIF11 (0.55) KIF11ABL1BCRFFAR4EPHX2
SCHEMBL526960 0.75 SLC22A12 (0.51) PTGS2

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 3561/4885ABL1 1571/4885BCR 1316/4885

“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.