SCHEMBL2108028

SCHEMBL2108028

CC(C)CC([C]=O)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(C)N

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37
MMP8 P22894 2/20 0.37
CTSL P07711 2/20 0.35
CTSS P25774 4/20 0.34
DPP4 P27487 1/20 0.33
LAP3 P28838 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CTSK P43235 1/20 0.32
MMP1 P03956 1/20 0.32
BIRC2 Q13490 1/20 0.32

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
SCHEMBL2108033 1.00 MMP2 (0.37) MMP2MMP9MMP8CTSLCTSS
SCHEMBL3070832 0.88 MMP2 (0.37) MMP2MMP9MMP8CTSLCTSS
SCHEMBL1796260 0.86 DPP4 (0.42) DPP4LAP3ALDH1A1
SCHEMBL2184616 0.84 MMP2 (0.39) MMP2MMP9MMP8CTSLCTSS
SCHEMBL28082201 0.84 MMP2 (0.39) MMP2MMP9MMP8CTSLCTSS
SCHEMBL1795666 0.82 SLC7A5 (0.40)
SCHEMBL1711477 0.82 ALDH1A1 (0.51) LAP3ALDH1A1
SCHEMBL1711472 0.82 ALDH1A1 (0.51) LAP3ALDH1A1
SCHEMBL29531361 0.82 ALDH1A1 (0.51) LAP3ALDH1A1
SCHEMBL30913906 0.82 ALDH1A1 (0.43) MMP2LAP3ALDH1A1MMP1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1909846-B1 TRIAZOLE-CONTAINING RELEASABLE LINKERS, CONJUGATES COMPRISING THE SAME AND PROCESSES FOR THEIR PREPARATION SYNTARGA BV (NL) 2018-12-26 EP disclosed
US-8158590-B2 Triazole-containing releasable linkers, conjugates thereof, and methods of preparation SYNTARGA B.V. (NL) 2012-04-17 US disclosed
US-20080311136-A1 Triazole-Containing Releasable Linkers, Conjugates Thereof, and Methods of Preparation BYONDIS B.V. (NL) 2008-12-18 US disclosed
EP-1909846-A2 TRIAZOLE-CONTAINING RELEASABLE LINKERS, CONJUGATES THEREOF, AND METHODS OF PREPARATION Syntarga B.V. (NL) 2008-04-16 EP disclosed
WO-2007018431-A2 TRIAZOLE-CONTAINING RELEASABLE LINKERS AND CONJUGATES COMPRISING THE SAME SYNTARGA B.V. (NL) 2007-02-15 WO disclosed
US-20040014652-A1 Tumor activated prodrug compounds and methods of making and using the same DIATOS SA (FR) 2004-01-22 US disclosed
EP-1286700-A2 TUMOR ACTIVATED PRODRUG COMPOUNDS UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) 2003-03-05 EP disclosed
WO-2001091798-A2 TUMOR ACTIVATED PRODRUG COMPOUNDS UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) 2001-12-06 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-20080311136-A1 Triazole-Containing Releasable Linkers, Conjugates Thereof, and Methods of Preparation PAICS, CD44, TRIM33 MMP2 996/4885MMP9 739/4885MMP8 512/4885

“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.