SCHEMBL12701774

SCHEMBL12701774

COc1ccc(CNC(=O)O[C@H]2CC[C@@]3(CCN(c4ccc(OC(F)(F)F)cc4)C3=O)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 14/20 0.56
METAP2 P50579 1/20 0.50
HRH3 Q9Y5N1 1/20 0.43
GCGR P47871 1/20 0.43
EPHX2 P34913 1/20 0.43
HTR2C P28335 1/20 0.43

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
SCHEMBL1588886 1.00 LIPE (0.56) LIPEMETAP2HRH3GCGREPHX2
SCHEMBL12701463 0.93 LIPE (0.64) LIPEMETAP2HRH3HTR2C
SCHEMBL1589275 0.93 LIPE (0.64) LIPEMETAP2HRH3HTR2C
SCHEMBL12701607 0.91 LIPE (0.51) LIPEMETAP2EPHX2
SCHEMBL1589320 0.91 LIPE (0.51) LIPEMETAP2EPHX2
SCHEMBL12724112 0.89 ALDH1A1 (0.44) LIPEMETAP2HRH3
SCHEMBL12701474 0.86 LIPE (0.61) LIPEMETAP2GCGR
SCHEMBL1589408 0.86 LIPE (0.61) LIPEMETAP2GCGR
SCHEMBL12701783 0.85 LIPE (0.55) LIPEMETAP2GCGR
SCHEMBL1589504 0.85 LIPE (0.55) LIPEMETAP2GCGR

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-8440710-B2 HSL inhibitors useful in the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2013-05-14 US disclosed
US-20110092512-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 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-20110092512-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES LPL, MGLL, LIPE LIPE 3/4885METAP2 985/4885HRH3 3404/4885

“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.