SCHEMBL4983604

SCHEMBL4983604

CC(CC(CN)C(=O)O)c1cccc(F)c1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
GLS O94925 1/20 0.34
BCHE P06276 1/20 0.34
PTGS2 P35354 2/20 0.34
PTGS1 P23219 1/20 0.34
ROCK2 O75116 2/20 0.34
ROCK1 Q13464 2/20 0.34
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ANPEP P15144 1/20 0.33
RNPEP Q9H4A4 1/20 0.33
DNPEP Q9ULA0 1/20 0.33
GAA P10253 1/20 0.33
HIF1A Q16665 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL4991192 0.88 GAA (0.40) CES2CES1ANPEPRNPEPDNPEP
SCHEMBL4990456 0.87 CES2 (0.39) CES2CES1PTGS2PTGS1POLB
SCHEMBL4983749 0.86 CES2 (0.38) CES2CES1GLSBCHEPTGS2
SCHEMBL4987994 0.84 CES2 (0.37) CES2CES1PTGS2PTGS1ITGB2
SCHEMBL4983935 0.83 CES2 (0.38) CES2CES1GLSBCHEPTGS2
SCHEMBL4986305 0.80 CES2 (0.40) CES2CES1
SCHEMBL4983231 0.79 MME (0.34) ANPEPRNPEPDNPEPPOLB
SCHEMBL4993588 0.78 LMNA (0.35) ANPEPRNPEPDNPEP
SCHEMBL4994105 0.78 TSHR (0.38) BCHEPTGS1KDM4EKMT2AANPEP
SCHEMBL4989925 0.78 MME (0.31) PTGS2PTGS1MEN1KMT2AHIF1A

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 CES2 3088/4885CES1 3932/4885GLS 1293/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A CES2 2473/4885CES1 3336/4885GLS 1380/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A CES2 2770/4885CES1 3744/4885GLS 1103/4885

“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.