SCHEMBL4893622

SCHEMBL4893622

Nc1cc(-c2ccc(C(F)(F)F)c(F)c2)cc2c1NC(=O)CC2

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 16/20 0.47
PTGS2 P35354 2/20 0.39
PTGS1 P23219 1/20 0.39
TDP2 O95551 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 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
SCHEMBL4595128 0.90 KIF11 (0.50) KIF11PTGS2PTGS1TDP2CYP19A1
SCHEMBL4899215 0.83 KIF11 (0.62) KIF11TDP2CYP19A1CYP11B1CYP11B2
SCHEMBL4595991 0.82 CYP11B1 (0.56) KIF11PTGS2PTGS1TDP2CYP19A1
SCHEMBL4595996 0.81 KIF11 (0.47) KIF11TDP2
SCHEMBL3310186 0.81 KIF11 (0.70) KIF11CYP11B1CYP11B2
SCHEMBL4596074 0.78 KIF11 (0.39) KIF11CYP11B1CYP11B2
SCHEMBL4888989 0.77 KIF11 (0.68) KIF11CYP11B1CYP11B2
SCHEMBL4893178 0.77 KIF11 (0.63) KIF11TDP2CYP19A1CYP11B1CYP11B2
SCHEMBL4596463 0.73 KIF11 (0.59) KIF11PTGS2PTGS1CYP11B1CYP11B2
SCHEMBL4897861 0.71 KIF11 (0.72) KIF11CYP11B1CYP11B2

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
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

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 562/4885PTGS2 2988/4885PTGS1 2557/4885

“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.