SCHEMBL4838552

SCHEMBL4838552

CC(C)(C)OC(=O)NC(O)Cc1cccc(Br)c1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.64
CTSK P43235 6/20 0.64
CTSB P07858 4/20 0.64
CTSL P07711 2/20 0.47
ATM Q13315 1/20 0.46
ACE P12821 1/20 0.46
KLK5 Q9Y337 1/20 0.45
AAK1 Q2M2I8 5/20 0.43
PTGES O14684 1/20 0.41
SLC7A5 Q01650 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
SCHEMBL2754724 0.87 CTSK (0.55) CTSSCTSKCTSBATMACE
SCHEMBL30346429 0.87 CTSS (0.64) CTSSCTSKCTSBCTSLATM
SCHEMBL21583861 0.87 CTSS (0.64) CTSSCTSKCTSBCTSLATM
SCHEMBL4496568 0.87 CTSS (0.64) CTSSCTSKCTSBCTSLATM
SCHEMBL30655726 0.85 CTSS (0.74) CTSSCTSKCTSBCTSLACE
SCHEMBL20905314 0.85 CTSS (0.71) CTSSCTSKCTSBCTSLACE
SCHEMBL4859989 0.85 CTSS (0.61) CTSSCTSKCTSBCTSLATM
SCHEMBL30829402 0.85 CTSS (0.74) CTSSCTSKCTSBCTSLACE
SCHEMBL4859984 0.85 CTSS (0.61) CTSSCTSKCTSBCTSLATM
SCHEMBL2333358 0.85 CTSS (0.74) CTSSCTSKCTSBCTSLACE

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351822-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2008-04-01 US disclosed
US-7053078-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2006-05-30 US disclosed
US-6946467-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-09-20 US disclosed
EP-1289954-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2005-09-14 EP disclosed
EP-1289953-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2005-09-07 EP disclosed
US-6936611-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-08-30 US disclosed
US-6900196-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-05-31 US disclosed
US-6878725-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-04-12 US disclosed
EP-1510515-A1 Phenylglycine derivatives as serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-03-02 EP disclosed
US-20040259868-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-12-23 US disclosed
US-20030055246-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-03-20 US disclosed
EP-1289954-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
EP-1289972-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
EP-1289953-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
EP-1289950-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
US-20020151724-A1 Serine protease inhibitors ELI LILLY AND COMPANY 2002-10-17 US disclosed
WO-2001096304-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed
WO-2001096296-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed
WO-2001096303-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed
WO-2001096323-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 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 (3 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-20030055246-A1 Serine protease inhibitors CTRL, CPN1, LOXL1 CTSS 51/4885CTSK 100/4885CTSB 141/4885
US-20040259868-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 CTSS 201/4885CTSK 286/4885CTSB 285/4885
US-20020151724-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 CTSS 201/4885CTSK 286/4885CTSB 285/4885

“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.