SCHEMBL363141

SCHEMBL363141

Cc1ccccc1C(CC(=NO)c1ccncc1)c1cccc(-c2ccc(S(C)(=O)=O)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 6/20 0.54
CTSA P10619 7/20 0.41
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
PTGS2 P35354 2/20 0.36
F11 P03951 2/20 0.35
KLKB1 P03952 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
SCHEMBL10240885 1.00 GPBAR1 (0.54) GPBAR1CTSACTSSCTSKPTGS2
SCHEMBL363140 1.00 GPBAR1 (0.54) GPBAR1CTSACTSSCTSKPTGS2
SCHEMBL1389612 0.93 GPBAR1 (0.50) GPBAR1CTSA
SCHEMBL10240910 0.93 GPBAR1 (0.50) GPBAR1CTSA
SCHEMBL361789 0.93 GPBAR1 (0.50) GPBAR1CTSA
SCHEMBL364567 0.91 GPBAR1 (0.61) GPBAR1CTSAPTGS2
SCHEMBL10240891 0.91 GPBAR1 (0.61) GPBAR1CTSAPTGS2
SCHEMBL364568 0.91 GPBAR1 (0.61) GPBAR1CTSAPTGS2
SCHEMBL368302 0.91 GPBAR1 (0.54) GPBAR1CTSACTSSCTSKPTGS2
SCHEMBL368303 0.91 GPBAR1 (0.54) GPBAR1CTSACTSSCTSKPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GPBAR1 1/4885CTSA 3225/4885CTSS 4056/4885

“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.