SCHEMBL3378495

SCHEMBL3378495

CS(=O)(=O)Nc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 1.00
ABL1 P00519 5/20 0.63
BCR P11274 1/20 0.63
PGR P06401 1/20 0.51
EPHX2 P34913 2/20 0.50
MAPK1 P28482 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NR1H4 Q96RI1 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
ATM Q13315 1/20 0.49
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL3107843 0.90 KIF11 (0.82) KIF11ABL1BCRPGREPHX2
SCHEMBL3379953 0.85 KIF11 (0.74) KIF11ABL1BCR
SCHEMBL3375773 0.83 KIF11 (0.70) KIF11ABL1BCRPGREPHX2
SCHEMBL28913958 0.82 KIF11 (0.69) KIF11MAPK1SMN1; SMN2ALDH1A1TP53
SCHEMBL3379345 0.82 KIF11 (0.68) KIF11ABL1BCREPHX2MAPK1
SCHEMBL3372908 0.82 KIF11 (0.68) KIF11ABL1BCREPHX2NR1H4
SCHEMBL3378630 0.81 KIF11 (0.67) KIF11ABL1BCREPHX2NR1H4
SCHEMBL937250 0.81 KIF11 (0.65) KIF11ABL1BCRMAPK1SMN1; SMN2
SCHEMBL31041151 0.80 KIF11 (0.79) KIF11PGRSMN1; SMN2ALDH1A1LMNA
SCHEMBL28575423 0.79 KIF11 (0.65) KIF11PGRMAPK1SMN1; SMN2ALDH1A1

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 10 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
EP-1694281-A4 BIPHENYL COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2008-12-24 EP claimed
US-20070259951-A1 Compounds, Compositions and Methods SMITHKLINE BEECHAM CORPORATION (US) 2007-11-08 US claimed
EP-1694281-A2 BIPHENYL COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2006-08-30 EP claimed
WO-2005060692-A2 BIPHENYL COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-07 WO 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
US-20070259951-A1 Compounds, Compositions and Methods SMITHKLINE BEECHAM CORPORATION (US) 2007-11-08 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 (2 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
US-20070259951-A1 Compounds, Compositions and Methods ALPP, PCNA, MKI67 KIF11 824/4885ABL1 3323/4885BCR 1877/4885

“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.