SCHEMBL4888914

SCHEMBL4888914

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

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.41
RIPK1 Q13546 15/20 0.41
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
BRD4 O60885 2/20 0.37
BRD2 P25440 1/20 0.37
BRD3 Q15059 1/20 0.37

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
SCHEMBL4893634 0.84 KIF11 (0.42) KIF11CYP11B1CYP11B2BRD4
SCHEMBL14154359 0.78 KIF11 (0.47) KIF11CYP11B1CYP11B2BRD4
SCHEMBL4596423 0.78 KIF11 (0.47) KIF11CYP11B1CYP11B2BRD4
Trifluoroacetic Acid SCHEMBL4595122 0.77 KIF11 (0.42) KIF11BRD4
Trifluoroacetic Acid SCHEMBL4596431 0.77 KIF11 (0.42) KIF11BRD4
SCHEMBL17324425 0.72 GAA (0.48) RIPK1
SCHEMBL18744960 0.72 GAA (0.48) RIPK1
SCHEMBL4596430 0.71 KIF11 (0.59) KIF11CYP11B1CYP11B2
SCHEMBL4595242 0.69 KIF11 (0.64) KIF11CYP11B1CYP11B2
SCHEMBL17332695 0.69 RIPK1 (0.41) RIPK1

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 2 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

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 562/4885RIPK1 3894/4885CYP11B1 780/4885

“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.