SCHEMBL5422686

SCHEMBL5422686

NC(=O)c1ccc(-c2ccc(C(F)(F)F)c(F)c2)cc1F

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 15/20 0.58
DGAT1 O75907 1/20 0.50
CYP11B2 P19099 2/20 0.45
CYP11B1 P15538 1/20 0.45
FFAR1 O14842 1/20 0.44
PTGS1 P23219 1/20 0.43
PTGS2 P35354 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
SCHEMBL5438348 0.83 KIF11 (0.61) KIF11DGAT1
SCHEMBL5429388 0.83 KIF11 (0.71) KIF11CYP11B2CYP11B1FFAR1
SCHEMBL21116892 0.80 KIF11 (0.76) KIF11CYP11B2CYP11B1
SCHEMBL3718585 0.80 KIF11 (0.57) KIF11CYP11B2
SCHEMBL28203779 0.79 KIF11 (0.56) KIF11CYP11B2CYP11B1FFAR1
SCHEMBL30131431 0.77 IKBKB (0.61) DGAT1
SCHEMBL13927718 0.77 IKBKB (0.61) DGAT1
SCHEMBL5424591 0.76 KIF11 (0.62) KIF11
SCHEMBL5428342 0.76 KIF11 (0.74) KIF11
SCHEMBL2920377 0.75 DGAT1 (0.56) KIF11DGAT1CYP11B2CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070265345-A1 Novel Biphenyl Compounds And Their Use SMITHKLINE BEECHAM CORPORATION (US) 2007-11-15 US claimed
US-20070265345-A1 Novel Biphenyl Compounds And Their Use SMITHKLINE BEECHAM CORPORATION (US) 2007-11-15 US disclosed
EP-1778214-A2 NOVEL BIPHENYL COMPOUNDS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2007-05-02 EP disclosed
WO-2006020358-A2 NOVEL BIPHENYL COMPOUNDS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2006-02-23 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-20070265345-A1 Novel Biphenyl Compounds And Their Use KIF5B, KIF5C, KIF5A KIF11 8/4885DGAT1 4287/4885CYP11B2 1809/4885

“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.