SCHEMBL369433

SCHEMBL369433

Cc1cc(/C(CC(c2ccc(C3CN(S(N)(=O)=O)C3)cc2)c2ccccc2C)=N\O)ccn1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 7/20 0.64
PROKR1 Q8TCW9 1/20 0.35
NR3C2 P08235 1/20 0.34
PRCP P42785 1/20 0.33
CTSA P10619 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30

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
SCHEMBL369435 1.00 GPBAR1 (0.64) GPBAR1PROKR1NR3C2PRCPCTSA
SCHEMBL369434 1.00 GPBAR1 (0.64) GPBAR1PROKR1NR3C2PRCPCTSA
SCHEMBL369432 1.00 GPBAR1 (0.64) GPBAR1PROKR1NR3C2PRCPCTSA
SCHEMBL1390338 0.93 GPBAR1 (0.64) GPBAR1PROKR1NR3C2PRCPCTSA
SCHEMBL1390339 0.93 GPBAR1 (0.64) GPBAR1PROKR1NR3C2PRCPCTSA
SCHEMBL1390337 0.93 GPBAR1 (0.64) GPBAR1PROKR1NR3C2PRCPCTSA
SCHEMBL1390336 0.93 GPBAR1 (0.64) GPBAR1PROKR1NR3C2PRCPCTSA
SCHEMBL369619 0.89 GPBAR1 (0.52) GPBAR1PROKR1NR3C2PRCPCTSA
SCHEMBL369620 0.89 GPBAR1 (0.52) GPBAR1PROKR1NR3C2PRCPCTSA
SCHEMBL1390444 0.88 GPBAR1 (0.67) GPBAR1PROKR1NR3C2PRCP

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 GPBAR1 1/4885PROKR1 242/4885NR3C2 232/4885

“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.