SCHEMBL2831370

SCHEMBL2831370

CC(CCCCCc1ncccn1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.47
LTB4R Q15722 9/20 0.45
ACE2 Q9BYF1 1/20 0.42
LTA4H P09960 1/20 0.41
BLM P54132 1/20 0.41
NAAA Q02083 1/20 0.39
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
GABRR1 P24046 2/20 0.37
CYP1A2 P05177 1/20 0.37
APAF1 O14727 1/20 0.37

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
SCHEMBL22572291 0.77 CYP1A2 (0.39) NAAACYSLTR2CYSLTR1CYP1A2
SCHEMBL17027841 0.76 LTB4R (0.68) LTB4R
SCHEMBL6344592 0.76 LTB4R (0.68) LTB4R
SCHEMBL17027837 0.76 LTB4R (0.68) LTB4R
SCHEMBL6971015 0.76 LTB4R (0.68) LTB4R
SCHEMBL27514701 0.75 LTB4R (0.53) TBXAS1LTB4RACE2LTA4HNAAA
SCHEMBL5977939 0.75 ACE2 (0.64) TBXAS1ACE2LTA4HBLMGABRR1
SCHEMBL20612872 0.75 ACE2 (0.64) TBXAS1ACE2LTA4HBLMGABRR1
SCHEMBL31073666 0.75 ACE2 (0.64) TBXAS1ACE2LTA4HBLMGABRR1
SCHEMBL9001608 0.75 ACE2 (0.64) TBXAS1ACE2LTA4HBLMGABRR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513233-B2 Pyrimidinyl-propionic acid derivatives and their use as PPAR agonists SHANGHAI INSTITUTE OF MATERIA MEDICA, CAS (CN) 2013-08-20 US disclosed
US-20100240636-A1 PYRIMIDINYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS SHENYANG SUNSHINE PHARMACEUTICAL COMPANY LIMITED (CN) 2010-09-23 US disclosed
WO-2009046606-A1 PYRIMIDINYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS SHANGHAI INSTITUTE OF MATERIA MEDICA, CAS (CN) 2009-04-16 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-20100240636-A1 PYRIMIDINYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS PPARA, PPARD, PPARG TBXAS1 1065/4885LTB4R 2307/4885ACE2 2877/4885

“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.