Sugi Predict

Sugi Predict / Compounds / SCHEMBL4986459

SCHEMBL4986459

SCHEMBL4986459

CC(CC(CN)C(=O)O)c1c(C(F)(F)F)cccc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 5/20 0.40
▸ EPHX2 P34913 4/20 0.40
▸ AKR1C3 P42330 8/20 0.39
▸ AKR1C2 P52895 8/20 0.39
▸ POLQ O75417 1/20 0.36
▸ GRIK1 P39086 1/20 0.35
▸ GRIK2 Q13002 1/20 0.35
▸ AKR1C4 P17516 1/20 0.35
▸ AKR1C1 Q04828 1/20 0.35
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 1/20 0.34
▸ NCSTN Q92542 1/20 0.34
▸ APH1A Q96BI3 1/20 0.34
▸ PSENEN Q9NZ42 1/20 0.34

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
SCHEMBL4991651 0.86 PPARG (0.37) PPARGEPHX2AKR1C3AKR1C2POLQ
SCHEMBL4991219 0.86 PSEN1 (0.35) PPARGEPHX2AKR1C3AKR1C2GRIK1
SCHEMBL4985038 0.84 PSEN1 (0.39) PPARGEPHX2AKR1C3AKR1C2POLQ
SCHEMBL4983189 0.84 CNR2 (0.43) PPARGEPHX2AKR1C3AKR1C2POLQ
SCHEMBL4981449 0.84 PPARG (0.38) PPARGEPHX2AKR1C3AKR1C2POLQ
SCHEMBL4989448 0.83 EPHX2 (0.42) PPARGEPHX2AKR1C3AKR1C2AKR1C4
SCHEMBL4987994 0.81 CES2 (0.37) AKR1C3AKR1C2AKR1C4AKR1C1PSEN1
SCHEMBL4989781 0.81 AKR1C3 (0.40) PPARGEPHX2AKR1C3AKR1C2POLQ
SCHEMBL4984213 0.80 PPARG (0.43) PPARGEPHX2GRIK1GRIK2
SCHEMBL4991485 0.79 ANPEP (0.35) GRIK1GRIK2

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 PPARG 1820/4885EPHX2 3970/4885AKR1C3 4710/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A PPARG 1405/4885EPHX2 3738/4885AKR1C3 4658/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A PPARG 1828/4885EPHX2 3738/4885AKR1C3 4657/4885

“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.