SCHEMBL4841362

SCHEMBL4841362

COC(=O)c1cccc([C@H](CO)NC(=O)OC(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.45
CYP4F2 P78329 2/20 0.44
CYP4A11 Q02928 2/20 0.44
CASR P41180 1/20 0.44
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
KDM4D Q6B0I6 1/20 0.42
RIPK1 Q13546 1/20 0.41
GABRB1 P18505 1/20 0.40
GABRB2 P47870 1/20 0.40
MAPT P10636 1/20 0.40
SLC7A5 Q01650 1/20 0.40

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
SCHEMBL4841357 1.00 ROCK2 (0.45) ROCK2CYP4F2CYP4A11CASRCTSS
SCHEMBL10070329 0.90 CASR (0.44) CYP4F2CYP4A11CASRCTSSCTSK
SCHEMBL13802920 0.88 CASR (0.45) CASRCTSSCTSKLOXL2KDM4D
SCHEMBL21510039 0.85 ALDH1A1 (0.49) ROCK2
SCHEMBL989453 0.84 RIPK1 (0.42) CYP4F2CYP4A11CTSSCTSKLOXL2
SCHEMBL30109148 0.84 RIPK1 (0.42) CYP4F2CYP4A11CTSSCTSKLOXL2
SCHEMBL3473488 0.83 CTSK (0.45) CYP4F2CYP4A11CASRCTSSCTSK
SCHEMBL5575604 0.83 CTSL (0.50) CTSSCTSKRIPK1MAPT
SCHEMBL16805929 0.83 JAK2 (0.45) ROCK2CTSSCTSKRIPK1GABRB1
SCHEMBL16690741 0.83 CTSL (0.50) CTSSCTSKRIPK1MAPT

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-1289950-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
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-2001096323-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

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 ROCK2 4128/4885CYP4F2 2928/4885CYP4A11 1989/4885
US-20040259868-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 ROCK2 2690/4885CYP4F2 1002/4885CYP4A11 1974/4885
US-20020151724-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 ROCK2 2690/4885CYP4F2 1002/4885CYP4A11 1974/4885

“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.