SCHEMBL545364

SCHEMBL545364

Nc1cc(OC2CCN(C(=O)O)CC2)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.46
LIPE Q05469 1/20 0.42
LIPG Q9Y5X9 2/20 0.39
LIPC P11150 1/20 0.39
TP53 P04637 1/20 0.39
ADRB2 P07550 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
SOS1 Q07889 4/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
TEAD1 P28347 1/20 0.38
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36

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
SCHEMBL29839849 0.92 LIPG (0.43) EPHX2LIPELIPGLIPCSOS1
SCHEMBL27077125 0.92 LIPG (0.43) EPHX2LIPELIPGLIPCSOS1
SCHEMBL9901768 0.87 EPHX2 (0.46) EPHX2LIPELIPGLIPCTP53
SCHEMBL21722913 0.86 EPHX2 (0.45) EPHX2LIPELIPGLIPCTP53
SCHEMBL450221 0.84 STS (0.52)
SCHEMBL6121469 0.84 EPHX2 (0.44) EPHX2LIPELIPGLIPCTP53
SCHEMBL6121943 0.84 EPHX2 (0.44) EPHX2LIPELIPGLIPCTP53
SCHEMBL14413039 0.82 EPHX2 (0.46) EPHX2LIPELIPGLIPCTP53
SCHEMBL546461 0.82 EPHX2 (0.42) EPHX2LIPELIPGLIPCTP53
SCHEMBL546462 0.82 EPHX2 (0.42) EPHX2LIPELIPGLIPCTP53

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-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
EP-1957460-A1 BICYCLIC COMPOUNDS WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-08-20 EP disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
WO-2007067444-A1 BICYCLIC COMPOUNDS WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-14 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-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 EPHX2 2205/4885LIPE 4094/4885LIPG 1818/4885

“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.