SCHEMBL5037752

SCHEMBL5037752

CCO[C@H](C(=O)NCc1ccc(C#N)cc1)c1ccc(OC)cc1F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.41
VNN1 O95497 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HIF1A Q16665 1/20 0.41
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 2/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.38
FPR1 P21462 1/20 0.38
FPR2 P25090 1/20 0.38

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
SCHEMBL5037751 1.00 GSK3B (0.41) GSK3BVNN1L3MBTL1HIF1AALDH1A1
SCHEMBL5045417 0.92 VNN1 (0.42) GSK3BVNN1L3MBTL1HIF1AALDH1A1
SCHEMBL5045426 0.92 VNN1 (0.42) GSK3BVNN1L3MBTL1HIF1AALDH1A1
SCHEMBL5037450 0.91 GSK3B (0.43) GSK3BVNN1L3MBTL1HIF1AALDH1A1
SCHEMBL5037449 0.91 GSK3B (0.43) GSK3BVNN1L3MBTL1HIF1AALDH1A1
SCHEMBL5037504 0.88 VNN1 (0.42) GSK3BVNN1L3MBTL1HIF1APOLB
SCHEMBL5037500 0.88 VNN1 (0.42) GSK3BVNN1L3MBTL1HIF1APOLB
SCHEMBL5040473 0.87 DGAT2 (0.38) GSK3BPOLB
SCHEMBL5040465 0.87 DGAT2 (0.38) GSK3BPOLB
SCHEMBL5041874 0.87 SLC1A3 (0.38) L3MBTL1HIF1AGAA

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 GSK3B 4156/4885VNN1 1831/4885L3MBTL1 1475/4885

“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.