SCHEMBL369328

SCHEMBL369328

Cn1cc(C(=O)CC(c2ccc(Br)cc2)c2ccc(F)cc2F)ccc1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.38
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
KMT2A Q03164 1/20 0.37
GPBAR1 Q8TDU6 2/20 0.35
BRD4 O60885 2/20 0.34
BRD2 P25440 1/20 0.34
BRD3 Q15059 1/20 0.34
BRDT Q58F21 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
KEAP1 Q14145 2/20 0.33
NFE2L2 Q16236 2/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
ATM Q13315 1/20 0.33
MAP2K2 P36507 1/20 0.33
MAP2K1 Q02750 1/20 0.33

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
SCHEMBL368888 0.91 MGAM (0.37) MGAMGAASIMGAM2KMT2A
SCHEMBL1390233 0.91 GPBAR1 (0.40) PPARGMGAMGAASIMGAM2
SCHEMBL370467 0.90 KMT2A (0.41) MGAMGAASIMGAM2KMT2A
SCHEMBL371366 0.90 KMT2A (0.46) MGAMGAASIMGAM2KMT2A
SCHEMBL369472 0.88 MGAM (0.35) PPARGMGAMGAASIMGAM2
SCHEMBL369352 0.88 MGAM (0.35) PPARGMGAMGAASIMGAM2
SCHEMBL371058 0.87 GAA (0.43) MGAMGAASIMGAM2KMT2A
SCHEMBL369685 0.87 GPBAR1 (0.45) PPARGKMT2AGPBAR1BRD4BRD2
SCHEMBL369684 0.87 GPBAR1 (0.45) PPARGKMT2AGPBAR1BRD4BRD2
SCHEMBL371021 0.81 GAA (0.38) MGAMGAASIMGAM2KMT2A

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 PPARG 161/4885MGAM 2443/4885GAA 2696/4885

“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.