SCHEMBL5043331

SCHEMBL5043331

CN[C@H](C(=O)NCc1ccc(C#N)cc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.54
SLC1A2 P43004 1/20 0.54
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LOXL2 Q9Y4K0 1/20 0.47
EPHX2 P34913 1/20 0.46
PKM P14618 1/20 0.46
CTSS P25774 2/20 0.45
CTSL P07711 1/20 0.45
EP300 Q09472 3/20 0.45
HAT1 O14929 2/20 0.45
OPRK1 P41145 1/20 0.44
SCN5A Q14524 1/20 0.44
SCN9A Q15858 1/20 0.44
S1PR4 O95977 1/20 0.44
S1PR3 Q99500 1/20 0.44
CTSK P43235 1/20 0.43

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
SCHEMBL5043330 1.00 SLC1A3 (0.54) SLC1A3SLC1A2MEN1KMT2ALOXL2
SCHEMBL5038124 0.87 SLC1A3 (0.52) SLC1A3SLC1A2MEN1KMT2ACTSS
SCHEMBL5038112 0.87 SLC1A3 (0.52) SLC1A3SLC1A2MEN1KMT2ACTSS
SCHEMBL23715929 0.86 KMT2A (0.56) SLC1A2MEN1KMT2APKMOPRK1
SCHEMBL5041445 0.81 CTSS (0.71) SLC1A3SLC1A2CTSSCTSLCTSK
SCHEMBL5041450 0.81 CTSS (0.71) SLC1A3SLC1A2CTSSCTSLCTSK
SCHEMBL5047142 0.81 SLC1A3 (0.53) SLC1A3SLC1A2MEN1KMT2ALOXL2
SCHEMBL5047798 0.81 SLC1A3 (0.53) SLC1A3SLC1A2MEN1KMT2ALOXL2
SCHEMBL5047140 0.81 SLC1A3 (0.53) SLC1A3SLC1A2MEN1KMT2ALOXL2
SCHEMBL5047802 0.81 SLC1A3 (0.53) SLC1A3SLC1A2MEN1KMT2ALOXL2

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 SLC1A3 2652/4885SLC1A2 2127/4885MEN1 766/4885

“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.