SCHEMBL362636

SCHEMBL362636

Cc1cc(Cl)ccc1C(CC(=NO)c1ccc(=O)n(C)c1)c1ccc(OCCCC(=O)O)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 13/20 0.37
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL362635 1.00 CXCR3 (0.37) CXCR3CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL369087 0.92 GPBAR1 (0.34) CXCR3
SCHEMBL369086 0.92 GPBAR1 (0.34) CXCR3
SCHEMBL369210 0.91 CXCR3 (0.39) CXCR3CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL363356 0.88 FFAR1 (0.38) FFAR1FFAR4
SCHEMBL363355 0.88 FFAR1 (0.38) FFAR1FFAR4
SCHEMBL369571 0.87 P2RX3 (0.36)
SCHEMBL370760 0.87 P2RX3 (0.36)
SCHEMBL1389771 0.85 GPBAR1 (0.33)
SCHEMBL1389768 0.85 GPBAR1 (0.33)

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 CXCR3 1373/4885CYP1A2 369/4885CYP3A4 1258/4885

“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.