SCHEMBL9955437

SCHEMBL9955437

CC(C)OC(=O)[C@@H](Cc1ccc(C(C)(C)C)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.49
CTSK P43235 5/20 0.49
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
ACE P12821 1/20 0.46
KLK5 Q9Y337 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
AKT1 P31749 1/20 0.45
PPARA Q07869 2/20 0.45
ACACB O00763 2/20 0.43
PPARG P37231 1/20 0.43
EPHX2 P34913 1/20 0.43
ABCB1 P08183 1/20 0.43
HDAC8 Q9BY41 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
SCHEMBL9955434 1.00 CTSS (0.49) CTSSCTSKCTSLCTSBITGB3
SCHEMBL16460070 0.90 PPARA (0.53) CTSSCTSKCTSLCTSBITGB3
SCHEMBL16460068 0.90 PPARA (0.53) CTSSCTSKCTSLCTSBITGB3
SCHEMBL16459373 0.89 PPARA (0.51) CTSSCTSKCTSLCTSBITGB3
SCHEMBL16470394 0.89 CTSS (0.62) CTSSCTSKCTSLCTSBITGB3
SCHEMBL16459371 0.89 PPARA (0.51) CTSSCTSKCTSLCTSBITGB3
SCHEMBL18256512 0.88 MEN1 (0.57) CTSSCTSKCTSLCTSBITGB3
SCHEMBL16459725 0.88 CTSS (0.63) CTSSCTSKCTSLCTSBITGB3
SCHEMBL5887476 0.88 CTSS (0.63) CTSSCTSKCTSLCTSBITGB3
SCHEMBL16460175 0.88 CTSS (0.63) CTSSCTSKCTSLCTSBITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140012005-A1 PROCESS FOR PREPARING CHIRAL AMINO ACIDS DIVERCHIM (FR) 2014-01-09 US disclosed
US-20140012005-A1 PROCESS FOR PREPARING CHIRAL AMINO ACIDS DIVERCHIM (FR) 2014-01-09 US disclosed
US-20140012005-A1 PROCESS FOR PREPARING CHIRAL AMINO ACIDS DIVERCHIM (FR) 2014-01-09 US disclosed
EP-2655322-A1 PROCESS FOR PREPARING CHIRAL AMINO ACIDS Diverchim (FR) 2013-10-30 EP disclosed
WO-2012085474-A1 PROCESS FOR PREPARING CHIRAL AMINO ACIDS DIVERCHIM (FR) 2012-06-28 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-20140012005-A1 PROCESS FOR PREPARING CHIRAL AMINO ACIDS BCAT1, DNPEP, BCAT2 CTSS 724/4885CTSK 2248/4885CTSL 570/4885

“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.