SCHEMBL13878600

SCHEMBL13878600

CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)NNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.59
PPARA Q07869 2/20 0.57
PPARG P37231 1/20 0.52
KLK7 P49862 2/20 0.51
KLK5 Q9Y337 2/20 0.51
RAB9A P51151 1/20 0.49
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TNF P01375 1/20 0.46
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45
CDC25A P30304 1/20 0.45
CDC25B P30305 1/20 0.45
PTPN11 Q06124 1/20 0.45
MDM2 Q00987 1/20 0.44
REN P00797 1/20 0.44

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
SCHEMBL4224899 0.89 CTSS (0.55) CTSSKMT2A
SCHEMBL4214513 0.89 CTSS (0.55) CTSSKMT2A
SCHEMBL4219003 0.89 CTSS (0.55) CTSSKMT2A
SCHEMBL2583829 0.88 PPARA (0.55) CTSSPPARAPPARGKLK7KLK5
SCHEMBL30416417 0.88 PPARA (0.55) CTSSPPARAPPARGKLK7KLK5
SCHEMBL30844631 0.88 PPARA (0.55) CTSSPPARAPPARGKLK7KLK5
SCHEMBL28430224 0.88 PPARA (0.55) CTSSPPARAPPARGKLK7KLK5
SCHEMBL28430225 0.88 PPARA (0.55) CTSSPPARAPPARGKLK7KLK5
SCHEMBL20630880 0.85 CTSS (0.53) CTSSMDM2
SCHEMBL5556459 0.84 CTSK (0.50) CTSSKMT2APTPN1MDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105091-A1 Modified Amino Acids TECHNISCHE UNIVERSITAT WIEN (AT) 2009-04-23 US disclosed
US-20090105091-A1 Modified Amino Acids TECHNISCHE UNIVERSITAT WIEN (AT) 2009-04-23 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-20090105091-A1 Modified Amino Acids SLC1A2, NR1H4, OXGR1 CTSS 4519/4885PPARA 625/4885PPARG 658/4885

“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.