SCHEMBL5639616

SCHEMBL5639616

CC(C)(C)OC(=O)N[C@@H](CCON1C(=O)CCC1=O)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.47
KLK7 P49862 4/20 0.47
KLK5 Q9Y337 3/20 0.47
CTSS P25774 4/20 0.45
SYK P43405 1/20 0.45
CTSL P07711 2/20 0.45
CTSK P43235 3/20 0.44
CASP1 P29466 1/20 0.44
PPARG P37231 2/20 0.44
CACNA1B Q00975 2/20 0.43
CTSB P07858 1/20 0.43
AKT1 P31749 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43

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
SCHEMBL29401031 0.86 KLK7 (0.47) PPARAKLK7KLK5CTSSSYK
SCHEMBL3873338 0.84 KLK7 (0.55) PPARAKLK7KLK5CTSSSYK
SCHEMBL8059266 0.84 KLK7 (0.55) PPARAKLK7KLK5CTSSSYK
SCHEMBL13702221 0.82 KLK7 (0.49) PPARAKLK7KLK5CTSSSYK
SCHEMBL29401078 0.82 KLK7 (0.49) PPARAKLK7KLK5CTSSSYK
SCHEMBL29808549 0.82 KLK7 (0.49) PPARAKLK7KLK5CTSSSYK
SCHEMBL23811131 0.82 PPARA (0.54) PPARAKLK7KLK5CTSSSYK
SCHEMBL7267125 0.82 PPARA (0.54) PPARAKLK7KLK5CTSSSYK
SCHEMBL31072132 0.81 KLK7 (0.47) PPARAKLK7KLK5CTSSSYK
SCHEMBL6820018 0.81 PPARA (0.53) PPARAKLK7KLK5CTSSSYK

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-7220856-B2 Substituted quinoline CCR5 receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2007-05-22 US disclosed
US-7220856-B2 Substituted quinoline CCR5 receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2007-05-22 US disclosed
US-20040072818-A1 Substituted quinoline CCR5 receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2004-04-15 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-20040072818-A1 Substituted quinoline CCR5 receptor antagonists CCR5, CXCR3, CCR2 PPARA 1870/4885KLK7 1356/4885KLK5 1340/4885

“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.