SCHEMBL3798997

SCHEMBL3798997

NCCCCC(NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.69
ITGB3 P05106 4/20 0.67
ITGA2B P08514 4/20 0.67
CTSL P07711 2/20 0.67
ACE P12821 1/20 0.60
CPB1 P15086 1/20 0.58
CPB2 Q96IY4 1/20 0.58
TACR1 P25103 2/20 0.58
CTSB P07858 1/20 0.57
CTSS P25774 1/20 0.57
CTSK P43235 1/20 0.57

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
SCHEMBL3799001 1.00 ECE1 (0.69) ECE1ITGB3ITGA2BCTSLACE
SCHEMBL30064582 0.93 ECE1 (0.64) ECE1ITGB3ITGA2BCTSLACE
SCHEMBL287474 0.92 ITGB3 (0.66) ECE1ITGB3ITGA2BACECPB1
SCHEMBL15968143 0.92 ITGB3 (0.66) ECE1ITGB3ITGA2BACECPB1
SCHEMBL287475 0.92 ITGB3 (0.66) ECE1ITGB3ITGA2BACECPB1
SCHEMBL6476819 0.92 ITGB3 (0.66) ECE1ITGB3ITGA2BACECPB1
SCHEMBL10774737 0.91 CTSL (0.64) ECE1ITGB3ITGA2BCTSLACE
SCHEMBL30064827 0.91 CAPN1 (0.62) ECE1ITGB3ITGA2BCTSLCPB1
SCHEMBL24188458 0.91 ECE1 (0.62) ECE1ITGB3ITGA2BCTSLACE
Hydrochloric Acid SCHEMBL4994643 0.91 ITGB3 (0.65) ECE1ITGB3ITGA2BACECPB1

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 18 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
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
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 (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-20060116422-A1 Prodrugs built as multiple self-elimination-release spacers DNPEP, GUSB, APEH ECE1 1197/4885ITGB3 4631/4885ITGA2B 4579/4885

“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.