SCHEMBL6746599

SCHEMBL6746599

CCCCCCCN(CCc1ccc(CC(SCC)C(=O)OCC)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.37
PPARG P37231 5/20 0.37
PPARD Q03181 2/20 0.37
CA12 O43570 5/20 0.37
CA1 P00915 5/20 0.37
CA2 P00918 5/20 0.37
CA4 P22748 2/20 0.37
HDAC3 O15379 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
NCOR2 Q9Y618 2/20 0.34
THRA P10827 2/20 0.34
THRB P10828 2/20 0.34
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
CA14 Q9ULX7 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
SCHEMBL6746612 0.90 HDAC3 (0.39) PPARAPPARGPPARDCA12CA1
SCHEMBL6744728 0.89 PPARA (0.37) PPARAPPARGPPARDCA12CA1
SCHEMBL6744697 0.87 HDAC3 (0.38) PPARAPPARGPPARDCA12CA1
SCHEMBL6744038 0.86 PPARA (0.39) PPARAPPARGPPARDCA12CA1
SCHEMBL6746951 0.80 PPARA (0.47) PPARAPPARGPPARDCA12CA1
SCHEMBL6746542 0.79 HDAC3 (0.41) PPARAPPARGCA12CA1CA2
SCHEMBL6744419 0.79 L3MBTL1 (0.38) PPARAPPARGPPARDCA12CA1
SCHEMBL6744717 0.79 PPARA (0.41) PPARAPPARGPPARDCA12CA1
SCHEMBL6744678 0.79 PPARA (0.41) PPARAPPARGPPARDCA12CA1
SCHEMBL6743523 0.79 PPARG (0.44) PPARAPPARGPPARDCA12CA1

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 2 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
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

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 PPARA 1/4885PPARG 2/4885PPARD 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.