SCHEMBL12282201

SCHEMBL12282201

COC(=O)C(OC)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.45
CES1 P23141 2/20 0.45
LDHA P00338 3/20 0.44
LDHB P07195 3/20 0.44
PDE2A O00408 2/20 0.43
NOS3 P29474 2/20 0.42
NOS1 P29475 2/20 0.42
NOS2 P35228 2/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
EPHX2 P34913 1/20 0.42
CFTR P13569 1/20 0.41
CNR2 P34972 1/20 0.40

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
SCHEMBL9475546 0.84 KMT2A (0.50)
SCHEMBL20873860 0.84 PPARG (0.49) CES2CES1AKR1C3AKR1C2
SCHEMBL21268409 0.84 PPARG (0.49) CES2CES1AKR1C3AKR1C2
SCHEMBL6809648 0.82 ALDH1A1 (0.51) CES2CES1LDHALDHBPDE2A
SCHEMBL6676161 0.81 CES2 (0.59) CES2CES1LDHALDHBPDE2A
SCHEMBL1566691 0.81 CES2 (0.59) CES2CES1LDHALDHBPDE2A
SCHEMBL8078579 0.81 HPGD (0.50) CES2CES1LDHALDHBPDE2A
SCHEMBL8084530 0.81 CES2 (0.46) CES2CES1LDHALDHBPDE2A
SCHEMBL1566692 0.81 CES2 (0.59) CES2CES1LDHALDHBPDE2A
SCHEMBL12742297 0.80 KMT2A (0.48)

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-8673908-B2 Kynurenine production inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-03-18 US disclosed
US-20110237584-A1 KYNURENINE PRODUCTION INHIBITOR KYOWA KIRIN CO., LTD. (JP) 2011-09-29 US disclosed
WO-2010053182-A1 KYNURENINE PRODUCTION INHIBITOR 協和発酵キリン株式会社 (JP) 2010-05-14 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-20110237584-A1 KYNURENINE PRODUCTION INHIBITOR KYNU, KMO, IDO1 CES2 3476/4885CES1 1063/4885LDHA 622/4885

“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.