SCHEMBL5037283

SCHEMBL5037283

COc1ccc([C@H](OC)C(=O)NCc2ccc(C#N)cc2F)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.40
GPR6 P46095 2/20 0.39
CHRM4 P08173 2/20 0.38
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
RAB9A P51151 2/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
EPHX2 P34913 3/20 0.37
P2RX7 Q99572 1/20 0.37
GSK3B P49841 1/20 0.36
BDKRB1 P46663 1/20 0.36

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
SCHEMBL5037279 1.00 DGAT2 (0.40) DGAT2GPR6CHRM4FFAR1FFAR4
SCHEMBL5041232 0.91 P2RX7 (0.43) DGAT2EPHX2P2RX7
SCHEMBL5041238 0.91 P2RX7 (0.43) DGAT2EPHX2P2RX7
SCHEMBL5037449 0.88 GSK3B (0.43) RAB9APKMGSK3B
SCHEMBL5037450 0.88 GSK3B (0.43) RAB9APKMGSK3B
SCHEMBL5040473 0.84 DGAT2 (0.38) DGAT2GPR6EPHX2GSK3B
SCHEMBL5040465 0.84 DGAT2 (0.38) DGAT2GPR6EPHX2GSK3B
SCHEMBL5037337 0.84 MAPK8 (0.40) DGAT2
SCHEMBL5037335 0.84 MAPK8 (0.40) DGAT2
SCHEMBL5041306 0.83 MAPK8 (0.42) DGAT2GPR6CHRM4RAB9AMAPK1

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-1567498-B1 MANDELIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-23 EP disclosed
US-7129238-B2 Mandelic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2006-10-31 US disclosed
EP-1567498-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-08-31 EP disclosed
US-20040122057-A1 Novel mandelic acid derivatives HOFFMANN-LA ROCHE INC. 2004-06-24 US disclosed
WO-2004048335-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-06-10 WO 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-20040122057-A1 Novel mandelic acid derivatives F7, F11, F9 DGAT2 4787/4885GPR6 1443/4885CHRM4 2119/4885

“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.