SCHEMBL1152783

SCHEMBL1152783

CC(C)(C)OC(=O)CC(C)(NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.49
SYK P43405 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PPARA Q07869 1/20 0.44
CTSK P43235 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42

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
SCHEMBL1152778 1.00 CTSS (0.49) CTSSSYKMEN1KMT2AITGB3
SCHEMBL1153755 1.00 CTSS (0.49) CTSSSYKMEN1KMT2AITGB3
SCHEMBL28525877 0.89 MEN1 (0.53) CTSSSYKMEN1KMT2AITGB3
SCHEMBL16970654 0.89 MEN1 (0.53) CTSSSYKMEN1KMT2AITGB3
SCHEMBL28290296 0.86 CTSS (0.53) CTSSSYKMEN1KMT2AITGB3
SCHEMBL1198965 0.86 CTSS (0.53) CTSSSYKMEN1KMT2AITGB3
SCHEMBL28290297 0.86 CTSS (0.53) CTSSSYKMEN1KMT2AITGB3
SCHEMBL3826896 0.86 CTSS (0.41) CTSSSYKMEN1KMT2AITGB3
SCHEMBL345955 0.85 CTSS (0.52) CTSSSYKMEN1KMT2AITGB3
SCHEMBL345121 0.84 CTSS (0.51) CTSSSYKMEN1KMT2AITGB3

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-20110039933-A1 S1P-1 RECEPTOR AGONISTS PRAECIS PHARMACEUTICALS INCORPORATION (US) 2011-02-17 US disclosed
EP-2054377-A1 CHEMICAL COMPOUNDS Praecis Pharmaceuticals Incorporated (US) 2009-05-06 EP disclosed
WO-2008024196-A1 CHEMICAL COMPOUNDS PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-02-28 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-20110039933-A1 S1P-1 RECEPTOR AGONISTS S1PR1, S1PR5, S1PR2 CTSS 3035/4885SYK 957/4885MEN1 1800/4885

“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.