SCHEMBL362997

SCHEMBL362997

O=C(O)CC(c1ccc(Br)cc1)c1ccc(F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
KEAP1 Q14145 2/20 0.40
NFE2L2 Q16236 2/20 0.40
FFAR1 O14842 3/20 0.39
GPBAR1 Q8TDU6 1/20 0.38
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
PPARG P37231 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37
IDO1 P14902 2/20 0.36
TDO2 P48775 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
SCHEMBL3557839 0.87 FFAR1 (0.42) CES2CES1KEAP1NFE2L2FFAR1
SCHEMBL362679 0.86 KEAP1 (0.43) KEAP1NFE2L2FFAR1GPBAR1PPARG
SCHEMBL1979497 0.82 FFAR1 (0.51) FFAR1GAAKMT2A
SCHEMBL362237 0.81 HPGD (0.41) DPP4CES2CES1GPBAR1GAA
SCHEMBL369328 0.79 PPARG (0.38) CES2CES1KEAP1NFE2L2GPBAR1
SCHEMBL370369 0.78 EPHX2 (0.47) DPP4MGAMGAASIMGAM2
SCHEMBL362478 0.78 GPBAR1 (0.54) GPBAR1MGAMGAASIMGAM2
SCHEMBL15949078 0.78 GPBAR1 (0.54) GPBAR1MGAMGAASIMGAM2
SCHEMBL17144551 0.76 DGAT1 (0.43) FFAR1KMT2A
SCHEMBL28094322 0.75 KEAP1 (0.44) CES2CES1KEAP1NFE2L2FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP disclosed
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US disclosed
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 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-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 DPP4 817/4885CES2 2521/4885CES1 548/4885

“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.