SCHEMBL5652319

SCHEMBL5652319

CC(OC(=O)NCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCSCC(=O)O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.47
CTSK P43235 7/20 0.45
CTSS P25774 4/20 0.44
JAK3 P52333 1/20 0.41
BTK Q06187 1/20 0.41
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
AKT1 P31749 1/20 0.41
CA2 P00918 1/20 0.41
KLK7 P49862 1/20 0.41
KLK5 Q9Y337 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
CAPN1 P07384 1/20 0.41
PTPN1 P18031 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
SCHEMBL5654524 0.80 PTGER4 (0.58) CTSKCTSSCTSL
SCHEMBL5652314 0.78 KLK7 (0.54) CTSKCTSSKLK7KLK5
SCHEMBL8026662 0.77 CTSK (0.50) CXCR3CTSKCTSSCTSLCTSB
SCHEMBL25492163 0.72 NPSR1 (0.58) CXCR3CTSKCTSSMMP1MMP3
SCHEMBL4857149 0.72 MAPT (0.58) CTSKCTSSMMP1MMP3MMP9
SCHEMBL4653243 0.71 MEN1 (0.57) CTSKCTSSSIRT5CTSLCTSB
SCHEMBL11888396 0.71 CXCR3 (0.54) CXCR3CTSKCTSSSIRT5CA2
SCHEMBL7389326 0.71 CACNA1B (0.56) CXCR3CTSKCTSSMMP1MMP3
SCHEMBL13043257 0.71 CTSK (0.56) CTSKCTSSJAK3BTKMMP1
SCHEMBL7389319 0.71 CACNA1B (0.56) CXCR3CTSKCTSSMMP1MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070142638-A1 Ornithine derivatives as prostaglandin e2 agonists or antagonists ASTELLAS PHARMA INC. (JP) 2007-06-21 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-20070142638-A1 Ornithine derivatives as prostaglandin e2 agonists or antagonists PTGER4, OXER1, RXFP4 CXCR3 537/4885CTSK 3974/4885CTSS 4377/4885

“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.