SCHEMBL5037528

SCHEMBL5037528

CO[C@H](C(=O)NCc1ccc(C#N)cc1)c1ccc(OCCc2ccc(F)cc2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.42
GAA P10253 1/20 0.41
PPARD Q03181 2/20 0.40
PPARA Q07869 2/20 0.40
SLC1A2 P43004 1/20 0.39
KCNH2 Q12809 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
CHEK1 O14757 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
VNN1 O95497 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTPN7 P35236 1/20 0.38
DUSP3 P51452 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL5037524 1.00 FAAH (0.42) FAAHGAAPPARDPPARASLC1A2
SCHEMBL5043135 0.90 PKM (0.44) FAAHPPARDPPARASLC1A2MAPT
SCHEMBL5043145 0.90 PKM (0.44) FAAHPPARDPPARASLC1A2MAPT
SCHEMBL5037449 0.87 GSK3B (0.43) GAAPPARAPOLBMAPTALDH1A1
SCHEMBL5037450 0.87 GSK3B (0.43) GAAPPARAPOLBMAPTALDH1A1
SCHEMBL5042123 0.87 MMP2 (0.42) KCNH2MAPTKMT2AMEN1VNN1
SCHEMBL5042127 0.87 MMP2 (0.42) KCNH2MAPTKMT2AMEN1VNN1
SCHEMBL5041816 0.85 HIF1A (0.41) GAAPPARAALDH1A1LMNAVNN1
SCHEMBL5041820 0.85 HIF1A (0.41) GAAPPARAALDH1A1LMNAVNN1
SCHEMBL6471939 0.84 ST14 (0.45) FAAHGAAALDH1A1LMNAPTPN7

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 FAAH 212/4885GAA 1312/4885PPARD 4571/4885

“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.