SCHEMBL4990789

SCHEMBL4990789

CC(CC(CN)C(=O)O)c1c(F)cc(F)cc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
MME P08473 2/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
GABRR1 P24046 2/20 0.32
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31
PTGS1 P23219 3/20 0.31
AKR1C3 P42330 3/20 0.31
AKR1C2 P52895 3/20 0.31
MEN1 O00255 2/20 0.31
PTGS2 P35354 2/20 0.31
KMT2A Q03164 2/20 0.31
FABP2 P12104 1/20 0.31
TSHR P16473 1/20 0.31
AKR1C4 P17516 1/20 0.31
ADRA2B P18089 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL4990679 0.85 MME (0.31) MMESLC1A3SLC1A2GABRR1PTGS1
SCHEMBL4987726 0.85 MME (0.31) MMESLC1A3SLC1A2GABRR1GRIK1
SCHEMBL4987994 0.84 CES2 (0.37) SLC1A3SLC1A2PTGS1AKR1C3AKR1C2
SCHEMBL4986059 0.84 MME (0.33) MMESLC1A3SLC1A2GABRR1PTGS1
SCHEMBL4986305 0.84 CES2 (0.40) MME
SCHEMBL4990549 0.83 CES2 (0.35) SLC1A3SLC1A2GRIK1GRIK2PTGS1
SCHEMBL4991356 0.82 AKR1C3 (0.35) MMESLC1A3SLC1A2AKR1C3AKR1C2
SCHEMBL4990814 0.81 CES2 (0.40) MMEGRIK1GRIK2PTGS1PTGS2
SCHEMBL4987451 0.80 SLC1A3 (0.35) SLC1A3SLC1A2GABRR1GRIK1GRIK2
SCHEMBL4989978 0.80 CPB2 (0.34) MMELMNACYP1A2CYP2C9HIF1A

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 6 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
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

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 PTGES 1711/4885ALOX5 4584/4885MME 2393/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A PTGES 1056/4885ALOX5 4087/4885MME 2286/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A PTGES 1514/4885ALOX5 4324/4885MME 2084/4885

“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.