SCHEMBL4992972

SCHEMBL4992972

CCC(CC(CN)C(=O)O)c1c(F)c(F)cc(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 7/20 0.35
AKR1C2 P52895 7/20 0.35
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
MME P08473 4/20 0.34
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
PDE4A P27815 1/20 0.31
ADRA1A P35348 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
HIF1A Q16665 1/20 0.31
PLAU P00749 2/20 0.31
PLG P00747 1/20 0.31
PLAT P00750 1/20 0.31
AKR1B10 O60218 1/20 0.30
AKR1C4 P17516 1/20 0.30
AKR1C1 Q04828 1/20 0.30

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
SCHEMBL4990467 0.92 AKR1C3 (0.33) AKR1C3AKR1C2SLC1A3SLC1A2SLC1A1
SCHEMBL4993744 0.88 SLC1A2 (0.38) SLC1A3SLC1A2SLC1A1CHRM1ADRA1A
SCHEMBL4990527 0.87 MME (0.35) AKR1C3AKR1C2SLC1A3SLC1A2SLC1A1
SCHEMBL4991356 0.85 AKR1C3 (0.35) AKR1C3AKR1C2SLC1A3SLC1A2SLC1A1
SCHEMBL4981630 0.83 AKR1C3 (0.33) AKR1C3AKR1C2SLC1A3SLC1A2SLC1A1
SCHEMBL4993489 0.82 AKR1C3 (0.36) AKR1C3AKR1C2SLC1A3SLC1A2SLC1A1
SCHEMBL4986059 0.82 MME (0.33) AKR1C3AKR1C2SLC1A3SLC1A2MME
SCHEMBL27665512 0.82 SLC1A2 (0.43) SLC1A3SLC1A2SLC1A1LMNACYP2C9
SCHEMBL4995259 0.82 CES2 (0.38) AKR1C3AKR1C2SLC1A3SLC1A2SLC1A1
SCHEMBL4986997 0.79 MME (0.32) AKR1C3AKR1C2SLC1A3SLC1A2MME

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 4233/4885SLC1A3 118/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A AKR1C3 4658/4885AKR1C2 4077/4885SLC1A3 128/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A AKR1C3 4657/4885AKR1C2 4126/4885SLC1A3 104/4885

“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.