SCHEMBL369928

SCHEMBL369928

Cn1cc(C(=O)CC(c2ccc(CO)cc2)c2ccc(Cl)cc2F)ccc1=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 2/20 0.36
MDM2 Q00987 2/20 0.35
MGAM O43451 2/20 0.34
GAA P10253 2/20 0.34
SI P14410 2/20 0.34
MGAM2 Q2M2H8 2/20 0.34
S1PR3 Q99500 6/20 0.34
S1PR1 P21453 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL369536 0.91 POLB (0.38) CYP2C9CYP2C19POLBMDM2MGAM
SCHEMBL1390467 0.90 POLB (0.37) CYP2C9CYP2C19POLBMDM2MGAM
SCHEMBL370765 0.89 CYP2C9 (0.39) CYP2C9CYP2C19POLBMGAMGAA
SCHEMBL371366 0.89 KMT2A (0.46) CYP2C9CYP2C19POLBMDM2MGAM
SCHEMBL1390222 0.88 GPBAR1 (0.35) CYP2C9CYP2C19MDM2S1PR3S1PR1
SCHEMBL1390226 0.88 GPBAR1 (0.35) CYP2C9CYP2C19MDM2S1PR3S1PR1
SCHEMBL1390225 0.88 GPBAR1 (0.35) CYP2C9CYP2C19MDM2S1PR3S1PR1
SCHEMBL370027 0.87 EPHX2 (0.37) POLBS1PR3S1PR1
SCHEMBL368098 0.86 GCG (0.39) POLBMDM2S1PR3S1PR1
SCHEMBL369115 0.86 PTGDR2 (0.36) CYP2C9CYP2C19POLBMDM2MGAM

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 CYP2C9 1676/4885CYP2C19 1199/4885POLB 2940/4885

“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.