Sugi Predict

Sugi Predict / Compounds / SCHEMBL4986562

SCHEMBL4986562

SCHEMBL4986562

CCOc1cccc(CCC(C)CC(CN)C(=O)O)c1OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 1/20 0.46
▸ ALOX5 P09917 1/20 0.46
▸ PPARG P37231 1/20 0.46
▸ PTGS1 P23219 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ FABP4 P15090 2/20 0.34
▸ FABP5 Q01469 2/20 0.34
▸ TTR P02766 1/20 0.34
▸ MAPT P10636 3/20 0.34
▸ TP53 P04637 2/20 0.34
▸ GAA P10253 2/20 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
SCHEMBL4992692 0.93 PTGES (0.44) PTGESALOX5PPARGPTGS1PTGS2
SCHEMBL4986531 0.90 PPARG (0.35) PTGESALOX5PPARGPTGS1PTGS2
SCHEMBL4992883 0.90 PPARG (0.41) PTGESALOX5PPARGPTGS1PTGS2
SCHEMBL4993000 0.88 PPARG (0.45) PTGESALOX5PPARGPTGS1PTGS2
SCHEMBL4989975 0.88 PPARG (0.45) PTGESALOX5PPARGPTGS1PTGS2
SCHEMBL4989221 0.86 PTGS1 (0.40) PTGESALOX5PPARGPTGS1PTGS2
SCHEMBL4989977 0.85 HSD17B10 (0.35) PTGESALOX5PPARGPTGS1PTGS2
SCHEMBL4986854 0.84 ALDH1A1 (0.45) PTGESALOX5PPARGKMT2AALDH1A1
SCHEMBL4990125 0.84 PPARG (0.44) PTGESALOX5PPARGPTGS1PTGS2
SCHEMBL4984155 0.83 PPARG (0.34) PTGESALOX5PPARGPTGS1PTGS2

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 PTGES 1711/4885ALOX5 4584/4885PPARG 1820/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A PTGES 1056/4885ALOX5 4087/4885PPARG 1405/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A PTGES 1514/4885ALOX5 4324/4885PPARG 1828/4885

“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.