SCHEMBL10054705

SCHEMBL10054705

CC(C)(C)OC(=O)N[C@@H](Cc1cccc(CNC(=O)OCc2ccccc2)c1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.59
CTSS P25774 7/20 0.55
CTSK P43235 6/20 0.55
CTSB P07858 4/20 0.55
PPARA Q07869 3/20 0.54
CTSL P07711 2/20 0.53
SYK P43405 1/20 0.52
PTPN1 P18031 1/20 0.52
ITGB3 P05106 2/20 0.51
ITGAV P06756 1/20 0.51
PPARG P37231 2/20 0.50
ITGA2B P08514 1/20 0.50
MAPT P10636 1/20 0.48

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
SCHEMBL10054782 1.00 ACE (0.59) ACECTSSCTSKCTSBPPARA
SCHEMBL10054648 0.93 KLK5 (0.57) ACECTSSCTSKCTSBPPARA
SCHEMBL8072127 0.88 ACE (0.60) ACECTSSCTSKCTSBPPARA
SCHEMBL8072132 0.88 ACE (0.60) ACECTSSCTSKCTSBPPARA
SCHEMBL11973513 0.87 ITGB3 (0.59) ACECTSSCTSKCTSBPPARA
SCHEMBL11973516 0.87 ITGB3 (0.59) ACECTSSCTSKCTSBPPARA
SCHEMBL8070828 0.86 CTSS (0.59) ACECTSSCTSKCTSBPPARA
SCHEMBL30441251 0.85 ACE (0.52) ACECTSSCTSKCTSBCTSL
SCHEMBL21683145 0.85 ACE (0.52) ACECTSSCTSKCTSBCTSL
SCHEMBL21683143 0.85 ACE (0.52) ACECTSSCTSKCTSBCTSL

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-8921319-B2 Serine protease inhibitors THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2014-12-30 US disclosed
US-20130267467-A1 SERINE PROTEASE INHIBITORS THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2013-10-10 US disclosed
WO-2012004678-A2 SERINE PROTEASE INHIBITORS THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2012-01-12 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-20130267467-A1 SERINE PROTEASE INHIBITORS SERPINE1, KLKB1, SERPINC1 ACE 158/4885CTSS 216/4885CTSK 141/4885

“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.