SCHEMBL5041919

SCHEMBL5041919

CCO[C@H](C(=O)NCc1ccc(C#N)cc1)c1c(F)cc(OCc2ccccc2)cc1F

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.45
MAOB P27338 1/20 0.44
FFAR1 O14842 1/20 0.43
RAB9A P51151 1/20 0.42
SMPD1 P17405 1/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL5041913 1.00 F10 (0.45) F10MAOBFFAR1RAB9ASMPD1
SCHEMBL5045182 0.89 SLC1A3 (0.41) F10SLC1A3SLC1A2MEN1KMT2A
SCHEMBL5045183 0.89 SLC1A3 (0.41) F10SLC1A3SLC1A2MEN1KMT2A
SCHEMBL5047497 0.89 F10 (0.58) F10MAOBFFAR1RAB9ASCN9A
SCHEMBL5037967 0.87 SLC1A3 (0.42) SLC1A3SLC1A2MEN1KMT2APPARA
SCHEMBL5037965 0.87 SLC1A3 (0.42) SLC1A3SLC1A2MEN1KMT2APPARA
SCHEMBL5037500 0.86 VNN1 (0.42) F10RAB9A
SCHEMBL5037504 0.86 VNN1 (0.42) F10RAB9A
SCHEMBL5042129 0.86 EPHX2 (0.40) F10RAB9ASLC1A3SLC1A2PPARA
SCHEMBL5042131 0.86 EPHX2 (0.40) F10RAB9ASLC1A3SLC1A2PPARA

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 8/4885MAOB 553/4885FFAR1 1355/4885

“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.