SCHEMBL5037513

SCHEMBL5037513

CCSC(C(=O)NCc1ccc(C#N)cc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.51
SLC1A2 P43004 1/20 0.51
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CCR2 P41597 1/20 0.44
PKM P14618 2/20 0.44
GAA P10253 1/20 0.43
EPHX2 P34913 1/20 0.43
SCN5A Q14524 2/20 0.42
SCN9A Q15858 2/20 0.42
CNR2 P34972 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
ERCC1 P07992 1/20 0.41
ERCC4 Q92889 1/20 0.41
LMNA P02545 1/20 0.41
PAX8 Q06710 1/20 0.41
POLB P06746 1/20 0.41
MAOA P21397 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
SCHEMBL5037516 1.00 SLC1A3 (0.51) SLC1A3SLC1A2MEN1KMT2ACCR2
SCHEMBL5038006 0.88 SLC1A3 (0.53) SLC1A3SLC1A2MEN1KMT2ACCR2
SCHEMBL5038007 0.88 SLC1A3 (0.53) SLC1A3SLC1A2MEN1KMT2ACCR2
SCHEMBL5041503 0.80 TPSAB1 (0.55) MEN1KMT2A
SCHEMBL5041500 0.80 TPSAB1 (0.55) MEN1KMT2A
Hydrochloric Acid SCHEMBL5037455 0.79 TPSAB1 (0.54) MEN1KMT2A
Hydrochloric Acid SCHEMBL5037453 0.79 TPSAB1 (0.54) MEN1KMT2A
SCHEMBL5043331 0.79 SLC1A3 (0.54) SLC1A3SLC1A2MEN1KMT2APKM
SCHEMBL5043330 0.79 SLC1A3 (0.54) SLC1A3SLC1A2MEN1KMT2APKM
SCHEMBL5047802 0.78 SLC1A3 (0.53) SLC1A3SLC1A2MEN1KMT2APKM

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.