SCHEMBL6520058

SCHEMBL6520058

CC(C)[C@@H](C(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 11/20 0.57
LIPG Q9Y5X9 1/20 0.48
HSD11B1 P28845 3/20 0.47
NAMPT P43490 1/20 0.44
HRH3 Q9Y5N1 2/20 0.44
ENPP2 Q13822 1/20 0.41
EPHX2 P34913 1/20 0.41

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
SCHEMBL6521594 0.90 NAMPT (0.47) LIPENAMPTHRH3EPHX2
SCHEMBL6523694 0.89 LIPE (0.43) LIPELIPGHSD11B1HRH3EPHX2
SCHEMBL6525990 0.89 NAMPT (0.46) LIPENAMPTHRH3
SCHEMBL6523469 0.88 MMP1 (0.49) LIPENAMPTHRH3ENPP2
SCHEMBL6518433 0.85 EPHX2 (0.48) LIPELIPGNAMPTEPHX2
SCHEMBL6520332 0.85 DPP4 (0.43) LIPENAMPTHRH3
SCHEMBL6521945 0.85 HRH3 (0.44) LIPENAMPTHRH3
SCHEMBL6521607 0.85 LIPE (0.40) LIPENAMPTEPHX2
SCHEMBL6525322 0.85 P2RX3 (0.39) LIPENAMPTHRH3
SCHEMBL6523919 0.83 EPHX2 (0.48) LIPENAMPTHRH3EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053933-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-03 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-20110053933-A1 HYDROXYQUINOXALINECARBOXAMIDE DERIVATIVE F12, F2, C3AR1 LIPE 4566/4885LIPG 2536/4885HSD11B1 861/4885

“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.