SCHEMBL4993403

SCHEMBL4993403

CC(CC(CN)C(=O)O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.47
AKR1C2 P52895 2/20 0.47
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47
GRIK1 P39086 1/20 0.45
GRIK2 Q13002 1/20 0.45
FFAR1 O14842 3/20 0.44
EPHX2 P34913 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
GRM8 O00222 1/20 0.42
GRM4 Q14833 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40

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
SCHEMBL4984128 0.88 GRM8 (0.43) AKR1C3AKR1C2PSEN1PSEN2APH1B
SCHEMBL4986211 0.87 AKR1C3 (0.44) AKR1C3AKR1C2PSEN1PSEN2APH1B
SCHEMBL4986730 0.87 PSEN1 (0.43) AKR1C3AKR1C2PSEN1PSEN2APH1B
SCHEMBL4984271 0.85 PNMT (0.54) AKR1C3AKR1C2CES2MMP13
SCHEMBL4986551 0.84 GABBR2 (0.41) GRIK1GRIK2FFAR1EPHX2
SCHEMBL4990627 0.84 PPARA (0.46) AKR1C3AKR1C2PSEN1PSEN2APH1B
SCHEMBL4987414 0.83 EPHX2 (0.47) GRIK1GRIK2EPHX2PPARGPPARA
SCHEMBL4990470 0.83 AKR1C3 (0.43) AKR1C3AKR1C2PSEN1PSEN2APH1B
SCHEMBL4987299 0.83 ESR1 (0.44) GRIK1GRIK2
SCHEMBL4992264 0.83 ACHE (0.47) AKR1C3AKR1C2GRIK1GRIK2FFAR1

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 AKR1C3 4710/4885AKR1C2 4233/4885PSEN1 738/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A AKR1C3 4658/4885AKR1C2 4077/4885PSEN1 520/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A AKR1C3 4657/4885AKR1C2 4126/4885PSEN1 812/4885

“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.