SCHEMBL363824

SCHEMBL363824

Cc1cc(/C(CC(c2ccc(C(=O)NCCO)cc2)c2ccc(F)cc2F)=N/O)ccn1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.63
EPHX2 P34913 5/20 0.38
ACSS2 Q9NR19 2/20 0.36
MAPK14 Q16539 5/20 0.36
MAPK11 Q15759 3/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ANPEP P15144 1/20 0.35
ALPL P05186 1/20 0.35

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
SCHEMBL1389995 1.00 GPBAR1 (0.63) GPBAR1EPHX2ACSS2MAPK14MAPK11
SCHEMBL1389999 1.00 GPBAR1 (0.63) GPBAR1EPHX2ACSS2MAPK14MAPK11
SCHEMBL1390277 0.89 GPBAR1 (0.62) GPBAR1EPHX2ACSS2MEN1KMT2A
SCHEMBL1390279 0.89 GPBAR1 (0.62) GPBAR1EPHX2ACSS2MEN1KMT2A
SCHEMBL361774 0.89 GPBAR1 (0.62) GPBAR1EPHX2ACSS2MEN1KMT2A
SCHEMBL1390315 0.87 GPBAR1 (0.71) GPBAR1
SCHEMBL363095 0.87 GPBAR1 (0.71) GPBAR1
SCHEMBL1390314 0.87 GPBAR1 (0.71) GPBAR1
SCHEMBL1389784 0.87 GPBAR1 (0.67) GPBAR1MAPK14MAPK11
SCHEMBL1389782 0.87 GPBAR1 (0.67) GPBAR1MAPK14MAPK11

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 12 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 claimed
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP claimed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO claimed
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP disclosed
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
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
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
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 GPBAR1 1/4885EPHX2 1909/4885ACSS2 2840/4885

“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.