Sugi Predict

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SCHEMBL4989712

SCHEMBL4989712

CCOc1cc(OCC)c(CC(CC)CC(CN)C(=O)O)c(OCC)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ PTGS2 P35354 2/20 0.35
▸ PPARG P37231 4/20 0.34
▸ PPARD Q03181 4/20 0.34
▸ PPARA Q07869 4/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ AKR1C3 P42330 1/20 0.33
▸ AKR1C2 P52895 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ TBXA2R P21731 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 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
SCHEMBL4984515 0.88 KDM4E (0.34) CPB2KDM4EPTGS2PPARGPPARD
SCHEMBL4991822 0.86 PTGS2 (0.39) CPB2KDM4EPTGS2PPARGPPARD
SCHEMBL4986378 0.86 L3MBTL1 (0.39) CPB2KDM4EPTGS2PPARGPPARD
SCHEMBL4984167 0.86 TSHR (0.37) CPB2KDM4EPTGS2PPARGPPARD
SCHEMBL4992220 0.86 PPARG (0.33) CPB2KDM4EPTGS2PPARGPPARD
SCHEMBL4989803 0.85 TSHR (0.39) CPB2PPARGPPARDPPARASMN1; SMN2
SCHEMBL4987718 0.85 TSHR (0.40) CPB2PPARGPPARDPPARASMN1; SMN2
SCHEMBL4995033 0.85 PPARG (0.41) CPB2PTGS2PPARGPPARDPPARA
SCHEMBL4991229 0.85 PPARA (0.41) PPARGPPARDPPARA
SCHEMBL4990671 0.84 KDM4E (0.41) KDM4EPPARGPPARDPPARASMN1; SMN2

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 CPB2 1747/4885KDM4E 3870/4885PTGS2 1324/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A CPB2 1342/4885KDM4E 3684/4885PTGS2 948/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A CPB2 1460/4885KDM4E 3950/4885PTGS2 1173/4885

“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.