SCHEMBL4987994

SCHEMBL4987994

CC(CC(CN)C(=O)O)c1c(F)cccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 1/20 0.35
GBA1 P04062 1/20 0.35
ANPEP P15144 1/20 0.35
RNPEP Q9H4A4 1/20 0.35
DNPEP Q9ULA0 1/20 0.35
TAAR1 Q96RJ0 2/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
GRM2 Q14416 1/20 0.34
GRM3 Q14832 1/20 0.34
PTGS1 P23219 4/20 0.34
PTGS2 P35354 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.34

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
SCHEMBL4983231 0.86 MME (0.34) ANPEPRNPEPDNPEPSLC1A3SLC1A2
SCHEMBL4989737 0.85 CES2 (0.35) CES2CES1ITGB2ICAM1ITGAL
SCHEMBL4990789 0.84 PTGES (0.33) SLC1A3SLC1A2PTGS1PTGS2MEN1
SCHEMBL4983604 0.84 CES2 (0.40) CES2CES1ITGB2ICAM1ITGAL
SCHEMBL4991192 0.83 GAA (0.40) CES2CES1ANPEPRNPEPDNPEP
SCHEMBL4986018 0.83 PPARG (0.36) ANPEPRNPEPDNPEPTAAR1SLC1A3
SCHEMBL4991485 0.83 ANPEP (0.35) ANPEPRNPEPDNPEPTAAR1SLC1A3
SCHEMBL4993489 0.82 AKR1C3 (0.36) CES2CES1ITGB2ICAM1ITGAL
SCHEMBL4986059 0.81 MME (0.33) SLC1A3SLC1A2PTGS1PTGS2MEN1
SCHEMBL4983560 0.81 GRIK1 (0.42) ANPEPRNPEPDNPEPTAAR1SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US 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 3932/4885ITGB2 359/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A CES2 2473/4885CES1 3336/4885ITGB2 441/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A CES2 2770/4885CES1 3744/4885ITGB2 370/4885

“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.