SCHEMBL363356

SCHEMBL363356

Cc1cc(Cl)ccc1C(CC(=NO)c1ccc(=O)n(C)c1)c1ccc(OCCCC(=O)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.38
GPBAR1 Q8TDU6 3/20 0.37
MCL1 Q07820 2/20 0.36
PLA2G4A P47712 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
CNR1 P21554 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
SCHEMBL363355 1.00 FFAR1 (0.38) FFAR1GPBAR1MCL1PLA2G4AFFAR4
SCHEMBL368768 0.90 FFAR1 (0.40) FFAR1MCL1PLA2G4AFFAR4PTGDR2
SCHEMBL10291021 0.88 FFAR1 (0.39) FFAR1MCL1PLA2G4AFFAR4PTGDR2
SCHEMBL362635 0.88 CXCR3 (0.37) FFAR1FFAR4
SCHEMBL362636 0.88 CXCR3 (0.37) FFAR1FFAR4
SCHEMBL1389987 0.86 GPBAR1 (0.46) FFAR1GPBAR1
SCHEMBL1389985 0.86 GPBAR1 (0.46) FFAR1GPBAR1
SCHEMBL1389988 0.86 GPBAR1 (0.46) FFAR1GPBAR1
SCHEMBL15949192 0.85 GPBAR1 (0.42) FFAR1GPBAR1
SCHEMBL15832829 0.84 GPBAR1 (0.40) FFAR1GPBAR1

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 8 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
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 FFAR1 14/4885GPBAR1 1/4885MCL1 2961/4885

“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.