SCHEMBL6831065

SCHEMBL6831065

Cc1ccc(C(N)C(C(=O)O)C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
ALOX5 P09917 1/20 0.43
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KIF11 P52732 5/20 0.41
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.39
ACHE P22303 1/20 0.39
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
SRD5A2 P31213 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
GRIK1 P39086 1/20 0.37
GRIK2 Q13002 1/20 0.37

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
SCHEMBL13957509 0.83 SLC1A3 (0.47) LMNAALOX5ALDH1A1SMN1; SMN2KIF11
SCHEMBL9257685 0.82 LMNA (0.43) LMNAALOX5ALDH1A1SMN1; SMN2KIF11
SCHEMBL10908398 0.80 BRD4 (0.47) LMNAALOX5ALDH1A1SMN1; SMN2POLB
SCHEMBL27610820 0.80 DPP4 (0.59) LMNACES2CES1
SCHEMBL5597309 0.79 CYP2C9 (0.51) LMNASLC1A3SLC1A2SLC1A1CYP2C19
SCHEMBL13700763 0.79 LMNA (0.45) LMNAALOX5ALDH1A1SMN1; SMN2CNR1
SCHEMBL6831820 0.79 LDHA (0.49) ALOX5ALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL5300400 0.78 HSD17B10 (0.52) LMNAALOX5ALDH1A1SMN1; SMN2KIF11
SCHEMBL11728987 0.78 HSD17B10 (0.52) LMNAALOX5ALDH1A1SMN1; SMN2KIF11
SCHEMBL2226385 0.78 ALDH1A1 (0.44) LMNAALOX5ALDH1A1SMN1; SMN2POLB

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-1386166-A2 ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2004-02-04 EP claimed
US-20030194375-A1 Administering 3-aminopropionic acid derivative as anticonvulsant QUEEN'S UNIVERSITY AT KINGSTON AND NEUROCHEM, INC. 2003-10-16 US claimed
WO-2002073208-A2 ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2002-09-19 WO claimed
EP-1386166-A2 ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2004-02-04 EP disclosed
WO-2002073208-A2 ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2002-09-19 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-20030194375-A1 Administering 3-aminopropionic acid derivative as anticonvulsant SLC1A2, SLC1A1, SLC1A3 LMNA 2739/4885ALOX5 314/4885ALDH1A1 432/4885

“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.