SCHEMBL4995259

SCHEMBL4995259

CCC(CC(CN)C(=O)O)c1cc(F)cc(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
AKR1C3 P42330 3/20 0.33
AKR1C2 P52895 3/20 0.33
MME P08473 3/20 0.32
PTGFR P43088 3/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
PTGS2 P35354 1/20 0.31
RIPK1 Q13546 2/20 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
SCHEMBL4981630 0.88 AKR1C3 (0.33) AKR1C3AKR1C2MMESLC1A3SLC1A2
SCHEMBL4991356 0.85 AKR1C3 (0.35) AKR1C3AKR1C2MMESLC1A3SLC1A2
SCHEMBL4981780 0.84 CES2 (0.38) CES2CES1AKR1C3AKR1C2MME
SCHEMBL4987318 0.84 CES2 (0.38) CES2CES1AKR1C3AKR1C2MME
SCHEMBL4986305 0.83 CES2 (0.40) CES2CES1TRPM8MMERIPK1
SCHEMBL4992972 0.82 AKR1C3 (0.35) AKR1C3AKR1C2MMESLC1A3SLC1A2
SCHEMBL4983935 0.81 CES2 (0.38) CES2CES1AKR1C3AKR1C2PTGS2
SCHEMBL4983653 0.81 CES2 (0.38) CES2CES1TRPM8RIPK1
SCHEMBL4981794 0.80 AKR1C3 (0.35) CES2CES1AKR1C3AKR1C2MME
SCHEMBL4990467 0.80 AKR1C3 (0.33) AKR1C3AKR1C2MMESLC1A3SLC1A2

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 CES2 3088/4885CES1 3932/4885TRPM8 536/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A CES2 2473/4885CES1 3336/4885TRPM8 525/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A CES2 2770/4885CES1 3744/4885TRPM8 614/4885

“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.