SCHEMBL5043577

SCHEMBL5043577

COc1cc(F)c([C@H](OC)C(=O)NCc2ccc(C#N)cc2O)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.39
LMNA P02545 1/20 0.36
GSK3B P49841 2/20 0.35
FPR1 P21462 1/20 0.35
FPR2 P25090 1/20 0.35
TRPV1 Q8NER1 3/20 0.35
GPR6 P46095 1/20 0.34
RAB9A P51151 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 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
SCHEMBL5043572 1.00 DGAT2 (0.39) DGAT2LMNAGSK3BFPR1FPR2
SCHEMBL5042326 0.91 F10 (0.41) DGAT2GSK3BFPR1FPR2TRPV1
SCHEMBL5042329 0.91 F10 (0.41) DGAT2GSK3BFPR1FPR2TRPV1
SCHEMBL5044099 0.90 P2RX7 (0.44) DGAT2LMNAFPR1FPR2TRPV1
SCHEMBL5044097 0.90 P2RX7 (0.44) DGAT2LMNAFPR1FPR2TRPV1
SCHEMBL5041197 0.86 PKM (0.43) GSK3BFPR1FPR2RAB9ADRD2
SCHEMBL5041193 0.86 PKM (0.43) GSK3BFPR1FPR2RAB9ADRD2
SCHEMBL5040874 0.85 ENPP2 (0.42) DGAT2TRPV1
SCHEMBL5040886 0.85 ENPP2 (0.42) DGAT2TRPV1
SCHEMBL5045512 0.84 F10 (0.39) DGAT2LMNA

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 4787/4885LMNA 1694/4885GSK3B 4156/4885

“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.