SCHEMBL4662603

SCHEMBL4662603

CS(=O)(=O)Nc1cccc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 1.00
ERAP1 Q9NZ08 1/20 0.59
NPY5R Q15761 1/20 0.56
KDM1A O60341 1/20 0.56
BRD4 O60885 2/20 0.55
FPR2 P25090 1/20 0.53
PFKFB3 Q16875 1/20 0.53
TDP2 O95551 2/20 0.52
HSD17B1 P14061 1/20 0.51
HSD17B2 P37059 1/20 0.51
NTRK1 P04629 1/20 0.50
FLT3 P36888 1/20 0.50
SYK P43405 1/20 0.49

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
SCHEMBL28758793 0.87 KIF11 (0.77) KIF11ERAP1NPY5RKDM1ABRD4
SCHEMBL17806557 0.86 KIF11 (0.76) KIF11KDM1ABRD4TDP2HSD17B1
SCHEMBL3374813 0.85 KIF11 (0.74) KIF11NPY5RHSD17B1HSD17B2
SCHEMBL5525973 0.85 KIF11 (0.74) KIF11ERAP1PFKFB3
SCHEMBL3380022 0.84 KIF11 (1.00) KIF11
SCHEMBL5133296 0.84 KIF11 (0.72) KIF11ERAP1KDM1APFKFB3NTRK1
SCHEMBL5133295 0.84 KIF11 (0.72) KIF11ERAP1KDM1APFKFB3NTRK1
SCHEMBL3565704 0.83 KIF11 (0.70) KIF11ERAP1NPY5RPFKFB3SYK
SCHEMBL12313373 0.82 KIF11 (0.69) KIF11NPY5RBRD4
SCHEMBL21092440 0.82 KIF11 (0.69) KIF11KDM1ABRD4TDP2HSD17B1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1694281-A4 BIPHENYL COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2008-12-24 EP disclosed
US-20070259951-A1 Compounds, Compositions and Methods SMITHKLINE BEECHAM CORPORATION (US) 2007-11-08 US disclosed
EP-1694281-A2 BIPHENYL COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2006-08-30 EP disclosed
WO-2005060692-A2 BIPHENYL COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-07 WO 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-20070259951-A1 Compounds, Compositions and Methods ALPP, PCNA, MKI67 KIF11 824/4885ERAP1 1267/4885NPY5R 4450/4885

“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.