SCHEMBL3793063

SCHEMBL3793063

C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 1/20 0.54
CPB2 Q96IY4 1/20 0.54
FOLH1 Q04609 2/20 0.51
SIRT2 Q8IXJ6 1/20 0.51
SIRT1 Q96EB6 1/20 0.51
PTGER4 P35408 2/20 0.49
CTSL P07711 2/20 0.49
CTSS P25774 1/20 0.49
ITGB3 P05106 1/20 0.49
ITGAV P06756 1/20 0.49
NPY5R Q15761 3/20 0.48
NPY1R P25929 3/20 0.48
NPY4R P50391 3/20 0.48
CAPN1 P07384 1/20 0.48
CAPN2 P17655 1/20 0.48
CTSK P43235 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
SCHEMBL3793060 1.00 CPB1 (0.54) CPB1CPB2FOLH1SIRT2SIRT1
SCHEMBL5576838 0.98 CPB1 (0.54) CPB1CPB2FOLH1SIRT2SIRT1
SCHEMBL31689766 0.98 CPB1 (0.54) CPB1CPB2FOLH1SIRT2SIRT1
SCHEMBL5576835 0.98 CPB1 (0.54) CPB1CPB2FOLH1SIRT2SIRT1
SCHEMBL8595664 0.95 CTSL (0.56) CPB1CPB2PTGER4CTSLCTSS
SCHEMBL11411256 0.93 CTSL (0.56) CPB1CPB2FOLH1SIRT2SIRT1
SCHEMBL29434525 0.90 CTSL (0.53) CPB1CPB2SIRT2SIRT1CTSL
SCHEMBL10784713 0.89 CAPN1 (0.61) CTSLCTSSNPY1RNPY4RCAPN1
SCHEMBL10784684 0.89 CAPN1 (0.61) CTSLCTSSNPY1RNPY4RCAPN1
SCHEMBL631840 0.89 FOLH1 (0.59) CPB1CPB2FOLH1SIRT2SIRT1

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 11 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-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
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
US-4229528-A Fluorescence method for enzyme analysis which couples aromatic amines with aromatic aldehydes SMITH ROBERT E 1980-10-21 US disclosed
US-4155916-A Fluorescence method for enzyme analysis which couples aromatic amines with aromatic aldehydes DOLBEARE FRANK A 1979-05-22 US 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 CPB1 78/4885CPB2 75/4885FOLH1 10/4885

“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.