SCHEMBL3789933

SCHEMBL3789933

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.59
CTSK P43235 3/20 0.59
CTSB P07858 2/20 0.59
CTSL P07711 1/20 0.59
ACE P12821 1/20 0.57
GNPAT O15228 1/20 0.56
REN P00797 5/20 0.56
AKT1 P31749 1/20 0.53
ECE1 P42892 1/20 0.52
PPARG P37231 1/20 0.50
PPARA Q07869 1/20 0.50

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
SCHEMBL3789929 1.00 CTSS (0.59) CTSSCTSKCTSBCTSLACE
SCHEMBL29839818 1.00 CTSS (0.59) CTSSCTSKCTSBCTSLACE
SCHEMBL30402156 0.96 CTSS (0.55) CTSSCTSKCTSBCTSLACE
SCHEMBL9495487 0.96 CTSS (0.55) CTSSCTSKCTSBCTSLACE
SCHEMBL11038198 0.96 ACE (0.60) CTSSCTSKCTSBCTSLACE
SCHEMBL11038196 0.96 ACE (0.60) CTSSCTSKCTSBCTSLACE
SCHEMBL30977093 0.94 REN (0.65) CTSSCTSKCTSBCTSLACE
SCHEMBL28668847 0.94 REN (0.65) CTSSCTSKCTSBCTSLACE
SCHEMBL30424553 0.94 REN (0.65) CTSSCTSKCTSBCTSLACE
SCHEMBL28668852 0.94 REN (0.65) 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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7705045-B2 compounds comprising a specifier linked to two or more of the same or different leaving groups via a self-eliminating multiple release spacer or spacer system, which compounds upon a single activation step, in particular removal or transformation of the specifier, release two or more leaving groups SYNTARGA, B.V. (NL) 2010-04-27 US claimed
EP-1370298-B1 ELONGATED AND MULTIPLE SPACERS IN ACTIVATIBLE PRODRUGS SYNTARGA BV (NL) 2008-10-08 EP claimed
US-7223837-B2 Anticancer prodrugs, enhance enzymatic activation rates SYNTARGA B.V. (NL) 2007-05-29 US claimed
US-20060116422-A1 Prodrugs built as multiple self-elimination-release spacers SYNTARGA B.V. (NL) 2006-06-01 US claimed
EP-1560599-A1 PRODRUGS BUILT AS MULTIPLE SELF-ELIMINATION-RELEASE SPACERS Syntarga B.V. (NL) 2005-08-10 EP claimed
US-20040121940-A1 Elongated and multiple spacers in activatible produgs BYONDIS B.V. (NL) 2004-06-24 US claimed
WO-2004043493-A1 PRODRUGS BUILT AS MULTIPLE SELF-ELIMINATION-RELEASE SPACERS SYNTARGA B.V. (NL) 2004-05-27 WO claimed
EP-1370298-A1 ELONGATED AND MULTIPLE SPACERS IN ACTIVATIBLE PRODRUGS Syntarga B.V. (NL) 2003-12-17 EP claimed
WO-2002083180-A1 ELONGATED AND MULTIPLE SPACERS IN ACTIVATIBLE PRODRUGS SYNTARGA B.V. (NL) 2002-10-24 WO claimed
EP-0961619-A4 HYDROLYZABLE PRODRUGS FOR DELIVERY OF ANTICANCER DRUGS TO METASTATIC CELLS BRISTOL MYERS SQUIBB CO (US) 2001-09-26 EP claimed
EP-0961619-A1 HYDROLYZABLE PRODRUGS FOR DELIVERY OF ANTICANCER DRUGS TO METASTATIC CELLS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-12-08 EP claimed
WO-1998013059-A1 HYDROLYZABLE PRODRUGS FOR DELIVERY OF ANTICANCER DRUGS TO METASTATIC CELLS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-04-02 WO claimed
CN-117003791-A Diphenylphosphinoyloxy bisphenol A compound and application thereof in preparation of whitening nonapeptide-1 西北工业大学 2023-11-07 CN disclosed
US-7705045-B2 compounds comprising a specifier linked to two or more of the same or different leaving groups via a self-eliminating multiple release spacer or spacer system, which compounds upon a single activation step, in particular removal or transformation of the specifier, release two or more leaving groups SYNTARGA, B.V. (NL) 2010-04-27 US disclosed
US-20060116422-A1 Prodrugs built as multiple self-elimination-release spacers SYNTARGA B.V. (NL) 2006-06-01 US disclosed
EP-1560599-A1 PRODRUGS BUILT AS MULTIPLE SELF-ELIMINATION-RELEASE SPACERS Syntarga B.V. (NL) 2005-08-10 EP disclosed
WO-2004043493-A1 PRODRUGS BUILT AS MULTIPLE SELF-ELIMINATION-RELEASE SPACERS SYNTARGA B.V. (NL) 2004-05-27 WO disclosed
EP-0961619-A4 HYDROLYZABLE PRODRUGS FOR DELIVERY OF ANTICANCER DRUGS TO METASTATIC CELLS BRISTOL MYERS SQUIBB CO (US) 2001-09-26 EP disclosed
EP-0961619-A1 HYDROLYZABLE PRODRUGS FOR DELIVERY OF ANTICANCER DRUGS TO METASTATIC CELLS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-12-08 EP disclosed
WO-1998013059-A1 HYDROLYZABLE PRODRUGS FOR DELIVERY OF ANTICANCER DRUGS TO METASTATIC CELLS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-04-02 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 (2 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-20060116422-A1 Prodrugs built as multiple self-elimination-release spacers DNPEP, GUSB, APEH CTSS 27/4885CTSK 216/4885CTSB 72/4885
US-20040121940-A1 Elongated and multiple spacers in activatible produgs PLG, KLK1, PKM CTSS 76/4885CTSK 91/4885CTSB 234/4885

“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.