SCHEMBL368971

SCHEMBL368971

Cn1cc(C(=O)CC(c2ccc(C(=O)NC3COC3)c(F)c2)c2ccccc2Cl)ccc1=O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.36
DGAT2 Q96PD7 1/20 0.35
HTR3A P46098 6/20 0.34
RORC P51449 2/20 0.34
GAA P10253 1/20 0.34
F10 P00742 1/20 0.34
USP1 O94782 1/20 0.34
BRD4 O60885 1/20 0.33
PKM P14618 1/20 0.33
IDH1 O75874 1/20 0.33
PRMT5 O14744 1/20 0.33
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
MAPK10 P53779 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
SCHEMBL1390392 0.93 HPGD (0.39) F10BRD4PKM
SCHEMBL370112 0.92 BRD4 (0.40) DGAT2RORCBRD4IDH1
SCHEMBL1389655 0.91 F9 (0.34) F9DGAT2HTR3ARORCGAA
SCHEMBL369186 0.91 F9 (0.34) F9DGAT2HTR3ARORCGAA
SCHEMBL1389659 0.91 F9 (0.34) F9DGAT2HTR3ARORCGAA
SCHEMBL1390181 0.90 HPGD (0.37) F9F10BRD4PKM
SCHEMBL1390393 0.90 BRD4 (0.41) RORCF10BRD4PKMIDH1
SCHEMBL1390183 0.90 HPGD (0.37) F9F10BRD4PKM
SCHEMBL1390395 0.90 BRD4 (0.41) RORCF10BRD4PKMIDH1
SCHEMBL1390352 0.88 ACHE (0.36) HTR3AF10BRD4MAPK8

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 5 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 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 F9 4573/4885DGAT2 1687/4885HTR3A 196/4885

“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.