SCHEMBL6744729

SCHEMBL6744729

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.38
HDAC8 Q9BY41 1/20 0.35
CYP4Z1 Q86W10 2/20 0.34
TSHR P16473 1/20 0.33
CYP4F11 Q9HBI6 1/20 0.32
CYP4F12 Q9HCS2 1/20 0.32
S1PR2 O95136 1/20 0.32
S1PR4 O95977 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
PTPRB P23467 1/20 0.32
TLR2 O60603 1/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL6746601 0.89 LTA4H (0.38) LTA4HHDAC8CYP4Z1TSHRCYP4F11
SCHEMBL6744699 0.87 LTA4H (0.43) LTA4HHDAC8TSHR
SCHEMBL6746616 0.86 LTA4H (0.44) LTA4HHDAC8TSHR
SCHEMBL6744039 0.85 LTA4H (0.41) LTA4HHDAC8CYP4Z1CYP4F11CYP4F12
SCHEMBL6744680 0.80 HDAC8 (0.36) LTA4HHDAC8
SCHEMBL6746964 0.79 LTA4H (0.45) LTA4HS1PR1S1PR3
SCHEMBL6744721 0.79 PPARA (0.40) LTA4HHDAC8S1PR2S1PR4S1PR1
SCHEMBL6746546 0.79 LTA4H (0.44) LTA4HHDAC8MAPK1
SCHEMBL6744422 0.79 LTA4H (0.36) LTA4HHDAC8CYP4Z1TSHRCYP4F11
SCHEMBL6747532 0.74 CYP4Z1 (0.41) LTA4HHDAC8CYP4Z1CYP4F11CYP4F12

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 LTA4H 1224/4885HDAC8 1648/4885CYP4Z1 1690/4885

“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.