SCHEMBL20979862

SCHEMBL20979862

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MME P08473 2/20 0.38
CAPN1 P07384 1/20 0.37
LTA4H P09960 1/20 0.37
ACE P12821 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36

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
SCHEMBL23323457 0.96 MMP2 (0.38) MMP2MMP9MMECAPN1LTA4H
SCHEMBL20979822 0.94 MMP2 (0.39) MMP2MMP9MMECAPN1LTA4H
SCHEMBL26542735 0.93 CTSK (0.35) MMP2MMP9MMECAPN1CTSL
SCHEMBL20979796 0.90 CTSB (0.38) MMP2MMP9MMECTSLCTSB
SCHEMBL20979759 0.89 CAPN1 (0.35) MMP2MMP9MMECAPN1CTSL
SCHEMBL26362964 0.89 MAPT (0.32) MMP2MMP9CAPN1
SCHEMBL23295228 0.86 CTSL (0.40) CTSLCTSBCTSSCTSK
SCHEMBL20979888 0.86 CTSL (0.40) CTSLCTSBCTSSCTSK
SCHEMBL26543946 0.86 CTSK (0.44) CAPN1CTSLCTSBCTSSCTSK
SCHEMBL22651693 0.85 CTSL (0.31) CTSLCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210130315-A1 METHOD FOR THE SYNTHESIS OF CYCLIC DEPSIPEPTIDES BAYER ANIMAL HEALTH GMBH (DE) 2021-05-06 US disclosed
EP-3480195-A1 METHOD FOR THE SYNTHESIS OF CYCLIC DEPSIPEPTIDES Bayer Animal Health GmbH (DE) 2019-05-08 EP 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-20210130315-A1 METHOD FOR THE SYNTHESIS OF CYCLIC DEPSIPEPTIDES DNPEP, NPEPPS, PREP MMP2 972/4885MMP9 1879/4885MME 59/4885

“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.