Sugi Predict

Sugi Predict / Compounds / SCHEMBL4993607

SCHEMBL4993607

SCHEMBL4993607

CC(CC(CN)C(=O)O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 1/20 0.38
▸ PSEN2 P49810 1/20 0.38
▸ APH1B Q8WW43 1/20 0.38
▸ NCSTN Q92542 1/20 0.38
▸ APH1A Q96BI3 1/20 0.38
▸ PSENEN Q9NZ42 1/20 0.38
▸ CACNA1H O95180 3/20 0.35
▸ CACNA1B Q00975 2/20 0.35
▸ CACNA1C Q13936 2/20 0.35
▸ CACNA1G O43497 1/20 0.35
▸ POLQ O75417 2/20 0.34
▸ GRIK1 P39086 1/20 0.34
▸ GRIK2 Q13002 1/20 0.34
▸ EGLN1 Q9GZT9 2/20 0.34
▸ AKR1C3 P42330 4/20 0.33
▸ AKR1C2 P52895 4/20 0.33
▸ PPARG P37231 3/20 0.33
▸ PPARA Q07869 2/20 0.33
▸ EPHX2 P34913 2/20 0.33
▸ CES2 O00748 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
SCHEMBL4993708 0.88 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4992712 0.85 AKR1C3 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4987879 0.85 CES2 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4984648 0.85 CES2 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4985038 0.84 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4981449 0.81 PPARG (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4990612 0.81 CACNA1H (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4989731 0.80 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4981457 0.79 PSEN1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4986730 0.79 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A

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 PSEN1 738/4885PSEN2 349/4885APH1B 471/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A PSEN1 520/4885PSEN2 264/4885APH1B 514/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A PSEN1 812/4885PSEN2 347/4885APH1B 483/4885

“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.