SCHEMBL369260

SCHEMBL369260

COCCn1cc(C(CC(c2ccc(S(C)(=O)=O)cc2)c2ccc(Cl)cc2C)=NO)ccc1=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.38
EPHX2 P34913 2/20 0.36
BRD4 O60885 1/20 0.34
MAPK8 P45983 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
ELANE P08246 1/20 0.32
LMNA P02545 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30
FLT1 P17948 1/20 0.30
FLT4 P35916 1/20 0.30
KDR P35968 1/20 0.30
SLC9A3 P48764 1/20 0.30
CCR5 P51681 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
SCHEMBL369259 1.00 GPBAR1 (0.38) GPBAR1EPHX2BRD4MAPK8ADORA3
SCHEMBL369258 1.00 GPBAR1 (0.38) GPBAR1EPHX2BRD4MAPK8ADORA3
SCHEMBL369694 0.95 EPHX2 (0.37) GPBAR1EPHX2BRD4MAPK8ADORA3
SCHEMBL369695 0.95 EPHX2 (0.37) GPBAR1EPHX2BRD4MAPK8ADORA3
SCHEMBL369696 0.95 EPHX2 (0.37) GPBAR1EPHX2BRD4MAPK8ADORA3
SCHEMBL369189 0.92 EPHX2 (0.44) GPBAR1EPHX2ADORA3ADORA2AADORA2B
SCHEMBL363307 0.92 EPHX2 (0.44) GPBAR1EPHX2ADORA3ADORA2AADORA2B
SCHEMBL369188 0.92 EPHX2 (0.44) GPBAR1EPHX2ADORA3ADORA2AADORA2B
SCHEMBL369789 0.91 GPBAR1 (0.39) GPBAR1EPHX2ADORA3ADORA2AADORA2B
SCHEMBL369790 0.91 GPBAR1 (0.39) GPBAR1EPHX2ADORA3ADORA2AADORA2B

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 1/4885EPHX2 1909/4885BRD4 3540/4885

“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.