Sugi Predict

Sugi Predict / Compounds / SCHEMBL6747532

SCHEMBL6747532

SCHEMBL6747532

CCOC(=O)C(=Cc1ccc(CCNCCCCCCCC(=O)OC(C)(C)C)cc1)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP4Z1 Q86W10 3/20 0.41
▸ LTA4H P09960 6/20 0.41
▸ CYP4F11 Q9HBI6 1/20 0.40
▸ CYP4F12 Q9HCS2 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.36
▸ CYP4F2 P78329 1/20 0.35
▸ CYP4A11 Q02928 1/20 0.35
▸ MAPK1 P28482 3/20 0.35
▸ NPSR1 Q6W5P4 3/20 0.35
▸ GAA P10253 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 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
SCHEMBL6360225 0.89 LTA4H (0.41) CYP4Z1LTA4HHDAC8ALDH1A1NAMPT
SCHEMBL6746587 0.82 EPHX2 (0.34) CYP4Z1LTA4HHDAC8MAPK1NPSR1
SCHEMBL6744039 0.78 LTA4H (0.41) CYP4Z1LTA4HCYP4F11CYP4F12HDAC8
SCHEMBL6746601 0.75 LTA4H (0.38) CYP4Z1LTA4HCYP4F11CYP4F12HDAC8
SCHEMBL6744721 0.75 PPARA (0.40) LTA4HHDAC8S1PR4S1PR1
SCHEMBL6744729 0.74 LTA4H (0.38) CYP4Z1LTA4HCYP4F11CYP4F12HDAC8
SCHEMBL6744422 0.74 LTA4H (0.36) CYP4Z1LTA4HCYP4F11CYP4F12HDAC8
SCHEMBL6744699 0.73 LTA4H (0.43) LTA4HHDAC8ALDH1A1
SCHEMBL6746964 0.73 LTA4H (0.45) LTA4HS1PR1
SCHEMBL6744680 0.73 HDAC8 (0.36) LTA4HHDAC8MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6699904-B2 PEROXISOME PROLIFERATOR ACTIVATOR RECEPTOR (PPAR) AGONISTS; ATHEROSCLEROSIS AND CARDIOVASCULAR DISORDERS; FOR EXAMPLE, 3-(4-(2-(3-(2,4-DIMETHOXY-PHENYL)-1-HEPTYL-UREIDO)-ETHYL)-PHENYL)-2-ETHOXY -PROPIONIC ACID PFIZER INC. 2004-03-02 — — US disclosed
EP-1360172-A1 PPAR AGONISTS Pfizer Products Inc. (US) 2003-11-12 — — EP disclosed
US-20020165282-A1 Peroxisome proliferator activator receptor (PPAR) agonists; atherosclerosis and cardiovascular disorders; for example, 3-(4-(2-(3-(2,4-dimethoxy-phenyl)-1-heptyl-ureido)-ethyl)-phenyl)-2-ethoxy -propionic acid HAYWARD CHERYL M (US) 2002-11-07 — — US disclosed
WO-2002064549-A1 PPAR AGONISTS PFIZER PRODUCTS INC. (US) 2002-08-22 — — WO 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 (1 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-20020165282-A1 Peroxisome proliferator activator receptor (PPAR) agonists; atherosclerosis and cardiovascular disorders; for example, 3-(4-(2-(3-(2,4-dimethoxy-phenyl)-1-heptyl-ureido)-ethyl)-phenyl)-2-ethoxy -propionic acid PPARA, PPARG, PPARD CYP4Z1 1690/4885LTA4H 1224/4885CYP4F11 1466/4885

“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.