Sugi Predict

Sugi Predict / Compounds / SCHEMBL4986989

SCHEMBL4986989

SCHEMBL4986989

CC(CCCc1cc(F)ccc1F)CC(CN)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 9/20 0.35
▸ DPP9 Q86TI2 6/20 0.35
▸ DPP7 Q9UHL4 4/20 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
▸ DPP8 Q6V1X1 2/20 0.34
▸ RIPK1 Q13546 1/20 0.34
▸ GRIK1 P39086 2/20 0.33
▸ FDFT1 P37268 2/20 0.33
▸ GRIK2 Q13002 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
SCHEMBL4990657 0.93 GRIK1 (0.37) DPP4DPP9DPP7DPP8RIPK1
SCHEMBL3992873 0.90 MAOB (0.36) DPP9PSEN1PSEN2APH1BNCSTN
SCHEMBL3998129 0.90 MAOB (0.36) DPP9PSEN1PSEN2APH1BNCSTN
SCHEMBL3995282 0.90 MAOB (0.36) DPP9PSEN1PSEN2APH1BNCSTN
SCHEMBL4990167 0.86 DPP4 (0.35) DPP4DPP9DPP7DPP8RIPK1
SCHEMBL4987356 0.85 RIPK1 (0.35) DPP4DPP9DPP7DPP8RIPK1
SCHEMBL4001255 0.85 TAAR1 (0.41) GRIK1
SCHEMBL3992461 0.85 TAAR1 (0.41) GRIK1
SCHEMBL4001251 0.85 TAAR1 (0.41) GRIK1
SCHEMBL4981480 0.85 DPP4 (0.43) DPP4DPP9DPP7DPP8RIPK1

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 DPP4 2680/4885DPP9 3111/4885DPP7 1811/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A DPP4 3263/4885DPP9 3456/4885DPP7 2158/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A DPP4 2672/4885DPP9 2941/4885DPP7 1690/4885

“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.