SCHEMBL4596423

SCHEMBL4596423

N[C@H]1COc2cc(-c3ccc(C(F)(F)F)cc3)ccc2NC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.47
TDP2 O95551 1/20 0.40
CA9 Q16790 2/20 0.38
KMT2A Q03164 3/20 0.37
BRD4 O60885 1/20 0.37
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 1/20 0.35
NOTUM Q6P988 1/20 0.35
CA12 O43570 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
CDK1 P06493 1/20 0.35
KIT P10721 1/20 0.35
CDK2 P24941 1/20 0.35
AKT1 P31749 1/20 0.35
KDR P35968 1/20 0.35
TNKS O95271 1/20 0.34
WNT3A P56704 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
MAP2K4 P45985 1/20 0.34

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
SCHEMBL14154359 1.00 KIF11 (0.47) KIF11TDP2CA9KMT2ABRD4
Trifluoroacetic Acid SCHEMBL4595122 0.93 KIF11 (0.42) KIF11TDP2CA9BRD4
Trifluoroacetic Acid SCHEMBL4596431 0.93 KIF11 (0.42) KIF11TDP2CA9BRD4
SCHEMBL15565139 0.90 KIF11 (0.43) KIF11TDP2KMT2ABRD4MEN1
Trifluoroacetic Acid SCHEMBL17332759 0.83 KIF11 (0.38) KIF11KMT2ABRD4MEN1ALDH1A1
SCHEMBL15594388 0.82 ACE2 (0.43) KIF11TDP2KMT2AMEN1DAO
SCHEMBL4893634 0.79 KIF11 (0.42) KIF11TDP2KMT2ABRD4CYP11B1
SCHEMBL4888914 0.78 KIF11 (0.41) KIF11BRD4CYP11B1CYP11B2
SCHEMBL4596430 0.78 KIF11 (0.59) KIF11TDP2CYP11B1CYP11B2
SCHEMBL14154396 0.76 KIF11 (0.48) KIF11TDP2KMT2AMEN1CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874753-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP claimed
WO-2006113432-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 WO claimed
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 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-20080176830-A1 Compounds, Compositions, and Methods ALPP, PCNA, MKI67 KIF11 562/4885TDP2 1033/4885CA9 2775/4885

“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.