SCHEMBL4986342

SCHEMBL4986342

CCC(CCCc1ccc(O)c(O)c1)CC(CN)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 6/20 0.43
IGF1R P08069 4/20 0.43
IAPP P10997 3/20 0.42
KDM4E B2RXH2 3/20 0.42
RECQL P46063 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
PTGS1 P23219 2/20 0.42
HIF1A Q16665 2/20 0.42
HSD17B10 Q99714 2/20 0.42
LCK P06239 2/20 0.42
USP2 O75604 1/20 0.42
EGFR P00533 1/20 0.42
FYN P06241 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
HTR2A P28223 1/20 0.42
PTGS2 P35354 1/20 0.42
SLC7A5 Q01650 1/20 0.42
PPARA Q07869 1/20 0.41
ADRA2A P08913 2/20 0.41
MAPT P10636 2/20 0.41

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
SCHEMBL4984822 0.93 KDM4E (0.43) ALOX15IGF1RIAPPKDM4ERECQL
SCHEMBL4993998 0.86 ALOX15 (0.46) ALOX15IGF1RIAPPKDM4ERECQL
SCHEMBL4992818 0.86 GRIK1 (0.44) KDM4EPTGS1HIF1AHSD17B10LCK
SCHEMBL4986381 0.85 GRIK1 (0.39) GRIK1
SCHEMBL4990056 0.85 KDM4E (0.52) ALOX15IGF1RIAPPKDM4ERECQL
SCHEMBL4986369 0.84 GRIK1 (0.38) GRIK1
SCHEMBL4989052 0.84 ANPEP (0.44) DRD2DRD1DRD3TAAR1GRIK1
SCHEMBL4990589 0.84 PNMT (0.40) ALOX15IGF1RTAAR1GRIK1
SCHEMBL4983416 0.84 GRIK1 (0.44) TDP1HSD17B10PPARAMAPK1ALDH1A1
SCHEMBL4986430 0.84 PTGS2 (0.41) PTGS2MAPK1GRIK1

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 ALOX15 4381/4885IGF1R 4274/4885IAPP 1685/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A ALOX15 3853/4885IGF1R 4400/4885IAPP 1587/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A ALOX15 4104/4885IGF1R 4401/4885IAPP 1639/4885

“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.