SCHEMBL4596438

SCHEMBL4596438

N[C@H]1C(=O)Nc2ccc(-c3ccc(C(F)(F)F)cc3)cc2OC1OC(=O)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.38
BRD4 O60885 3/20 0.36
P2RY14 Q15391 3/20 0.34
SLC6A2 P23975 1/20 0.34
DHODH Q02127 1/20 0.33
TDP2 O95551 1/20 0.33
FFAR1 O14842 1/20 0.32
KCNH2 Q12809 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL4595123 1.00 KIF11 (0.38) KIF11BRD4P2RY14SLC6A2DHODH
SCHEMBL4803591 0.80 PARP1 (0.43) BRD4
SCHEMBL4890671 0.77 KIF11 (0.38) KIF11P2RY14SLC6A2DHODHTDP2
SCHEMBL4899632 0.77 KIF11 (0.38) KIF11P2RY14SLC6A2DHODHTDP2
Trifluoroacetic Acid SCHEMBL4596431 0.72 KIF11 (0.42) KIF11BRD4P2RY14DHODHTDP2
Trifluoroacetic Acid SCHEMBL4595122 0.72 KIF11 (0.42) KIF11BRD4P2RY14DHODHTDP2
SCHEMBL4596423 0.71 KIF11 (0.47) KIF11BRD4TDP2
SCHEMBL14154359 0.71 KIF11 (0.47) KIF11BRD4TDP2
SCHEMBL1562063 0.69 BRD4 (0.43) KIF11BRD4
SCHEMBL4888914 0.65 KIF11 (0.41) KIF11BRD4

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-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
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 562/4885BRD4 1727/4885P2RY14 4762/4885

“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.