SCHEMBL363095

SCHEMBL363095

Cc1cc(/C(CC(c2ccc(C(=O)O)cc2)c2ccc(F)cc2F)=N/O)ccn1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 5/20 0.71
KDM4C Q9H3R0 6/20 0.34
KDM5A P29375 4/20 0.34
KDM5B Q9UGL1 4/20 0.34
KDM4A O75164 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
TRPM8 Q7Z2W7 2/20 0.33
RCE1 Q9Y256 1/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP26A1 O43174 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL1390315 1.00 GPBAR1 (0.71) GPBAR1KDM4CKDM5AKDM5BKDM4A
SCHEMBL1390314 1.00 GPBAR1 (0.71) GPBAR1KDM4CKDM5AKDM5BKDM4A
SCHEMBL363707 0.91 GPBAR1 (0.67) GPBAR1KDM4CKDM5AKDM5BNPC1
SCHEMBL1390565 0.91 GPBAR1 (0.67) GPBAR1KDM4CKDM5AKDM5BNPC1
SCHEMBL362433 0.89 GPBAR1 (0.78) GPBAR1KDM4CKDM5AKDM5BKDM4A
SCHEMBL1389736 0.89 GPBAR1 (0.78) GPBAR1KDM4CKDM5AKDM5BKDM4A
SCHEMBL1390134 0.89 GPBAR1 (0.78) GPBAR1KDM4CKDM5AKDM5BKDM4A
SCHEMBL10241352 0.89 GPBAR1 (0.78) GPBAR1KDM4CKDM5AKDM5BKDM4A
SCHEMBL10241353 0.89 GPBAR1 (0.78) GPBAR1KDM4CKDM5AKDM5BKDM4A
SCHEMBL1389865 0.89 GPBAR1 (0.67) GPBAR1PTGDR2

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 14 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
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
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US 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
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
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 US 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 1/4885KDM4C 4242/4885KDM5A 3517/4885

“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.