Sugi Predict

Sugi Predict / Compounds / SCHEMBL4986008

SCHEMBL4986008

SCHEMBL4986008

CCOc1ccc(CCC(CC)CC(CN)C(=O)O)c(OCC)c1OCC

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 9/20 0.36
▸ PPARD Q03181 7/20 0.36
▸ PPARA Q07869 7/20 0.36
▸ PTGES O14684 3/20 0.35
▸ ALOX5 P09917 3/20 0.35
▸ HSD17B10 Q99714 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CPB2 Q96IY4 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ TSHR P16473 1/20 0.32

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
SCHEMBL4986400 0.93 PPARG (0.35) PPARGPPARDPPARAPTGESALOX5
SCHEMBL4989975 0.90 PPARG (0.45) PPARGPPARDPPARAPTGESALOX5
SCHEMBL4992658 0.88 PPARG (0.35) PPARGPPARDPPARAPTGESALOX5
SCHEMBL4986149 0.88 PPARG (0.39) PPARGPPARDPPARAPTGESALOX5
SCHEMBL4986531 0.87 PPARG (0.35) PPARGPPARDPPARAPTGESALOX5
SCHEMBL4981657 0.84 HSD17B10 (0.36) PPARGPPARDPPARAPTGESALOX5
SCHEMBL4988182 0.84 PPARG (0.40) PPARGPPARDPPARAPTGESALOX5
SCHEMBL4990125 0.84 PPARG (0.44) PPARGPPARDPPARAPTGESALOX5
SCHEMBL4986508 0.83 PPARG (0.45) PPARGPPARDPPARAPTGESALOX5
SCHEMBL4984155 0.83 PPARG (0.34) PPARGPPARDPPARAPTGESALOX5

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 1820/4885PPARD 1357/4885PPARA 1454/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A PPARG 1405/4885PPARD 1447/4885PPARA 1126/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A PPARG 1828/4885PPARD 1355/4885PPARA 1324/4885

“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.