SCHEMBL4990742

SCHEMBL4990742

COc1ccc(CC(C)C(CN)C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.61
SLC6A4 P31645 1/20 0.51
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ACACB O00763 1/20 0.44
CA2 P00918 2/20 0.43
TPH1 P17752 1/20 0.43
CA1 P00915 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
SCHEMBL4989059 0.85 ALDH1A1 (0.50) LDHASMN1; SMN2
SCHEMBL4993195 0.83 KMT2A (0.47) PPARGPPARASMN1; SMN2ACACB
SCHEMBL4986173 0.82 SLC1A3 (0.56) SLC6A4CYP1A2CYP2D6NPC1RAB9A
SCHEMBL4991167 0.81 TRPA1 (0.53) PPARGPPARA
SCHEMBL28044828 0.81 LDHA (0.65) LDHASLC6A4PPARGPPARACYP1A2
SCHEMBL28044827 0.81 LDHA (0.65) LDHASLC6A4PPARGPPARACYP1A2
SCHEMBL5317079 0.81 LDHA (0.69) LDHASLC6A4PPARGPPARAPOLB
SCHEMBL31344391 0.80 LDHA (0.67) LDHASLC6A4PPARGPPARACYP1A2
SCHEMBL28622517 0.80 LDHA (0.67) LDHASLC6A4PPARGPPARAPOLB
SCHEMBL21194011 0.80 LDHA (0.67) LDHASLC6A4PPARGPPARACYP1A2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667957-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN Warner-Lambert Company LLC (US) 2006-06-14 EP claimed
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US claimed
WO-2005030700-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 WO claimed
US-7388023-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2008-06-17 US disclosed
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN WANER-LAMBERT COMPANY LLC (US) 2007-06-07 US disclosed
US-7179934-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2007-02-20 US disclosed
EP-1667957-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN Warner-Lambert Company LLC (US) 2006-06-14 EP disclosed
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US disclosed
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-05-12 US disclosed
WO-2005030700-A2 AMINO ACIDS WITH AFFINITY FOR THE ALPHA2DELTA-PROTEIN WARNER-LAMBERT COMPANY LLC (US) 2005-04-07 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 (3 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-20050124668-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, SCN1A, OPRD1 LDHA 1974/4885SLC6A4 581/4885PPARG 1820/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A LDHA 1818/4885SLC6A4 624/4885PPARG 1405/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A LDHA 1743/4885SLC6A4 524/4885PPARG 1828/4885

“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.