SCHEMBL370417

SCHEMBL370417

CS(=O)(=O)c1ccc(-c2ccc(C(CC(=NO)c3ccncc3)c3ccccc3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.62
PTGS2 P35354 4/20 0.40
RORC P51449 2/20 0.38
EPHX2 P34913 2/20 0.38
ROCK2 O75116 2/20 0.38
RPS6KA5 O75582 2/20 0.38
MAP4K4 O95819 2/20 0.38
CDK1 P06493 2/20 0.38
PRKACA P17612 2/20 0.38
RPS6KB1 P23443 2/20 0.38
CDK2 P24941 2/20 0.38
MAPK1 P28482 2/20 0.38
AKT1 P31749 2/20 0.38
GSK3A P49840 2/20 0.38
GSK3B P49841 2/20 0.38
RPS6KA3 P51812 2/20 0.38
PRKX P51817 2/20 0.38
PRKCD Q05655 2/20 0.38
PRKG2 Q13237 2/20 0.38
ROCK1 Q13464 2/20 0.38

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
SCHEMBL363565 1.00 GPBAR1 (0.62) GPBAR1PTGS2RORCEPHX2ROCK2
SCHEMBL370416 1.00 GPBAR1 (0.62) GPBAR1PTGS2RORCEPHX2ROCK2
SCHEMBL362754 0.92 GPBAR1 (0.54) GPBAR1PTGS2RORC
SCHEMBL368303 0.92 GPBAR1 (0.54) GPBAR1PTGS2RORC
SCHEMBL368302 0.92 GPBAR1 (0.54) GPBAR1PTGS2RORC
SCHEMBL364567 0.90 GPBAR1 (0.61) GPBAR1PTGS2EPHX2CA12CA1
SCHEMBL368645 0.90 GPBAR1 (0.56) GPBAR1RORC
SCHEMBL368644 0.90 GPBAR1 (0.56) GPBAR1RORC
SCHEMBL362212 0.90 GPBAR1 (0.56) GPBAR1RORC
SCHEMBL364568 0.90 GPBAR1 (0.61) GPBAR1PTGS2EPHX2CA12CA1

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 6 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-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 1/4885PTGS2 259/4885RORC 2041/4885

“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.