Sugi Predict

Sugi Predict / Compounds / SCHEMBL4993489

SCHEMBL4993489

SCHEMBL4993489

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 7/20 0.36
▸ AKR1C2 P52895 7/20 0.36
▸ CES2 O00748 1/20 0.35
▸ CES1 P23141 1/20 0.35
▸ SLC1A3 P43003 1/20 0.34
▸ SLC1A2 P43004 1/20 0.34
▸ SLC1A1 P43005 1/20 0.34
▸ ITGB2 P05107 1/20 0.34
▸ ICAM1 P05362 1/20 0.34
▸ ITGAL P20701 1/20 0.34
▸ NR4A2 P43354 1/20 0.34
▸ PTGS2 P35354 2/20 0.33
▸ MME P08473 1/20 0.33
▸ PLAU P00749 2/20 0.33
▸ PLG P00747 1/20 0.33
▸ PLAT P00750 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ FABP2 P12104 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ AKR1C4 P17516 1/20 0.33

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
SCHEMBL4990527 0.87 MME (0.35) AKR1C3AKR1C2SLC1A3SLC1A2SLC1A1
SCHEMBL4991356 0.85 AKR1C3 (0.35) AKR1C3AKR1C2SLC1A3SLC1A2SLC1A1
SCHEMBL4983935 0.85 CES2 (0.38) AKR1C3AKR1C2CES2CES1ITGB2
SCHEMBL4983956 0.84 GAA (0.38) AKR1C3AKR1C2CES2CES1SLC1A3
SCHEMBL4993490 0.84 SLC1A1 (0.35) SLC1A3SLC1A2SLC1A1NR4A2MEN1
SCHEMBL4993701 0.84 PPARG (0.37) AKR1C3AKR1C2SLC1A3SLC1A2SLC1A1
SCHEMBL4981699 0.82 GRIK1 (0.43) SLC1A3SLC1A2SLC1A1NR4A2TSHR
SCHEMBL4992972 0.82 AKR1C3 (0.35) AKR1C3AKR1C2SLC1A3SLC1A2SLC1A1
SCHEMBL4987994 0.82 CES2 (0.37) AKR1C3AKR1C2CES2CES1SLC1A3
SCHEMBL4989448 0.82 EPHX2 (0.42) AKR1C3AKR1C2AKR1C4AKR1C1

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 4233/4885CES2 3088/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A AKR1C3 4658/4885AKR1C2 4077/4885CES2 2473/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A AKR1C3 4657/4885AKR1C2 4126/4885CES2 2770/4885

“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.