SCHEMBL4595128

SCHEMBL4595128

O=C1CCc2cc(-c3ccc(C(F)(F)F)c(F)c3)cc(F)c2N1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 15/20 0.50
TDP2 O95551 1/20 0.40
PTGS2 P35354 2/20 0.40
PTGS1 P23219 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
GRIA1 P42261 1/20 0.39
CACNG8 Q8WXS5 1/20 0.39

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
SCHEMBL4893622 0.90 KIF11 (0.47) KIF11TDP2PTGS2PTGS1CYP19A1
SCHEMBL4595991 0.87 CYP11B1 (0.56) KIF11TDP2PTGS2PTGS1CYP19A1
SCHEMBL4893178 0.86 KIF11 (0.63) KIF11TDP2CYP19A1CYP11B1CYP11B2
SCHEMBL3310186 0.85 KIF11 (0.70) KIF11CYP11B1CYP11B2
SCHEMBL4596463 0.77 KIF11 (0.59) KIF11PTGS2PTGS1CYP11B1CYP11B2
SCHEMBL4897861 0.75 KIF11 (0.72) KIF11CYP11B1CYP11B2
SCHEMBL1874498 0.72 CYP11B2 (0.74) TDP2CYP19A1CYP11B1CYP11B2
SCHEMBL21116892 0.72 KIF11 (0.76) KIF11CYP11B1CYP11B2
SCHEMBL4595622 0.71 KIF11 (0.62) KIF11TDP2CYP19A1CYP11B1CYP11B2
SCHEMBL4899215 0.71 KIF11 (0.62) KIF11TDP2CYP19A1CYP11B1CYP11B2

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-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US claimed
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US disclosed
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US disclosed
EP-1874753-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP disclosed
WO-2006113432-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 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-20080176830-A1 Compounds, Compositions, and Methods ALPP, PCNA, MKI67 KIF11 562/4885TDP2 1033/4885PTGS2 2988/4885

“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.