Sugi Predict

Sugi Predict / Compounds / SCHEMBL6747530

SCHEMBL6747530

SCHEMBL6747530

CCCCCCCN(CCc1ccc(/C=C(\OCC)C(=O)OCC)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 5/20 0.38
▸ PPARA Q07869 5/20 0.38
▸ PPARD Q03181 2/20 0.38
▸ CA12 O43570 4/20 0.37
▸ CA1 P00915 4/20 0.37
▸ CA2 P00918 4/20 0.37
▸ CA4 P22748 2/20 0.37
▸ HDAC3 O15379 3/20 0.37
▸ HDAC1 Q13547 3/20 0.37
▸ HDAC2 Q92769 3/20 0.37
▸ NCOR2 Q9Y618 3/20 0.37
▸ CA14 Q9ULX7 1/20 0.36
▸ FAAH O00519 1/20 0.36
▸ MEN1 O00255 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ THRA P10827 2/20 0.34
▸ THRB P10828 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
SCHEMBL6747535 1.00 PPARG (0.38) PPARGPPARAPPARDCA12CA1
SCHEMBL6360227 0.89 PPARA (0.42) PPARGPPARAPPARDHDAC3HDAC1
SCHEMBL6360224 0.89 PPARA (0.42) PPARGPPARAPPARDHDAC3HDAC1
SCHEMBL6743957 0.83 PPARG (0.42) PPARGPPARAPPARDCA12CA1
SCHEMBL6746583 0.83 CA14 (0.32) CA14MEN1LMNAMAPTKMT2A
SCHEMBL6746590 0.83 CA14 (0.32) CA14MEN1LMNAMAPTKMT2A
SCHEMBL6743523 0.79 PPARG (0.44) PPARGPPARAPPARDCA12CA1
SCHEMBL6744038 0.78 PPARA (0.39) PPARGPPARAPPARDCA12CA1
SCHEMBL6743966 0.78 PPARG (0.44) PPARGPPARAPPARDCA12CA1
SCHEMBL6746599 0.75 PPARA (0.37) PPARGPPARAPPARDCA12CA1

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 PPARG 2/4885PPARA 1/4885PPARD 3/4885

“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.