SCHEMBL5037500

SCHEMBL5037500

CCOC(C(=O)NCc1ccc(C#N)cc1)c1c(F)cc(OC)cc1F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 2/20 0.42
GSK3B P49841 2/20 0.41
HIF1A Q16665 1/20 0.40
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
FPR1 P21462 1/20 0.38
FPR2 P25090 1/20 0.38
EPHX2 P34913 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.38
F10 P00742 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL5037504 1.00 VNN1 (0.42) VNN1GSK3BHIF1APOLBMAPT
SCHEMBL5041197 0.90 PKM (0.43) VNN1GSK3BHIF1APOLBMAPT
SCHEMBL5041193 0.90 PKM (0.43) VNN1GSK3BHIF1APOLBMAPT
SCHEMBL5037387 0.90 SMN1; SMN2 (0.38) VNN1HIF1AMAPTRAB9AEPHX2
SCHEMBL5037390 0.90 SMN1; SMN2 (0.38) VNN1HIF1AMAPTRAB9AEPHX2
SCHEMBL5042131 0.89 EPHX2 (0.40) VNN1HIF1ARAB9AEPHX2F10
SCHEMBL5042129 0.89 EPHX2 (0.40) VNN1HIF1ARAB9AEPHX2F10
SCHEMBL5045525 0.88 SLC1A2 (0.39) VNN1HIF1AEPHX2L3MBTL1
SCHEMBL5045523 0.88 SLC1A2 (0.39) VNN1HIF1AEPHX2L3MBTL1
SCHEMBL5045182 0.88 SLC1A3 (0.41) HIF1AEPHX2F10

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 VNN1 1831/4885GSK3B 4156/4885HIF1A 251/4885

“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.