SCHEMBL1343633

SCHEMBL1343633

C=CCCN(CCO)C(=O)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.57
CTSS P25774 1/20 0.54
PPARG P37231 1/20 0.52
RAB9A P51151 1/20 0.47
KLK7 P49862 2/20 0.47
KLK5 Q9Y337 2/20 0.47
USP2 O75604 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL1341914 1.00 PPARA (0.57) PPARACTSSPPARGRAB9AKLK7
SCHEMBL7992987 0.83 PPARA (0.57) PPARACTSSPPARGRAB9AKLK7
SCHEMBL7992991 0.83 PPARA (0.57) PPARACTSSPPARGRAB9AKLK7
SCHEMBL9439194 0.81 PPARA (0.62) PPARACTSSPPARGRAB9AKLK7
SCHEMBL2909574 0.80 SYK (0.45) PPARACTSSUSP2L3MBTL1
SCHEMBL2910539 0.80 SYK (0.45) PPARACTSSUSP2L3MBTL1
SCHEMBL12528516 0.79 USP2 (0.45) PPARACTSSPPARGUSP2
SCHEMBL29229258 0.78 PPARA (0.69) PPARACTSSPPARGRAB9AKLK7
SCHEMBL8697793 0.78 PPARA (0.65) PPARACTSSPPARGRAB9AKLK7
SCHEMBL2728639 0.77 PPARA (0.74) PPARACTSSPPARGRAB9AKLK7

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-8063042-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2011-11-22 US disclosed
EP-2220055-A2 NOVEL HETEROCYCLYL COMPOUNDS AND THEIR USE AS CHEMOKINE ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2010-08-25 EP disclosed
US-20090023713-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE, INC. 2009-01-22 US disclosed
WO-2009010429-A2 NOVEL HETEROCYCLYL COMPOUNDS AND THEIR USE AS CHEMOKINE ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-01-22 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-20090023713-A1 HETEROCYCLIC COMPOUNDS CCR5, CCR3, CCR2 PPARA 708/4885CTSS 2548/4885PPARG 603/4885

“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.