SCHEMBL5042329

SCHEMBL5042329

CCO[C@H](C(=O)NCc1ccc(C#N)cc1O)c1c(F)cc(OC)cc1F

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.41
DGAT2 Q96PD7 1/20 0.37
FPR1 P21462 1/20 0.35
FPR2 P25090 1/20 0.35
GSK3B P49841 2/20 0.33
TRPV1 Q8NER1 2/20 0.33
GPR6 P46095 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
RAB9A P51151 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
SCHEMBL5042326 1.00 F10 (0.41) F10DGAT2FPR1FPR2GSK3B
SCHEMBL5043577 0.91 DGAT2 (0.39) DGAT2FPR1FPR2GSK3BTRPV1
SCHEMBL5043572 0.91 DGAT2 (0.39) DGAT2FPR1FPR2GSK3BTRPV1
SCHEMBL5047127 0.90 P2RX7 (0.42) F10DGAT2FPR1FPR2TRPV1
SCHEMBL5047120 0.90 P2RX7 (0.42) F10DGAT2FPR1FPR2TRPV1
SCHEMBL5040473 0.89 DGAT2 (0.38) F10DGAT2GSK3BGPR6
SCHEMBL5040465 0.89 DGAT2 (0.38) F10DGAT2GSK3BGPR6
SCHEMBL5045474 0.87 F10 (0.45) F10DGAT2FPR1FPR2TRPV1
SCHEMBL5037504 0.87 VNN1 (0.42) F10FPR1FPR2GSK3BDRD2
SCHEMBL5037500 0.87 VNN1 (0.42) F10FPR1FPR2GSK3BDRD2

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 F10 8/4885DGAT2 4787/4885FPR1 48/4885

“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.