SCHEMBL12475327

SCHEMBL12475327

NCC(=O)OC1CCOC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.34
PDE4D Q08499 8/20 0.33
PDE4A P27815 4/20 0.33
PDE4B Q07343 4/20 0.33
PDE4C Q08493 4/20 0.33
JAK2 O60674 2/20 0.32
JAK1 P23458 2/20 0.32
TYK2 P29597 2/20 0.32
JAK3 P52333 2/20 0.32
AOC2 O75106 3/20 0.31
MAOA P21397 2/20 0.31
ATF4 P18848 1/20 0.31

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
SCHEMBL23049719 1.00 CTSL (0.34) CTSLPDE4DPDE4APDE4BPDE4C
SCHEMBL23049716 1.00 CTSL (0.34) CTSLPDE4DPDE4APDE4BPDE4C
SCHEMBL8809657 0.88 KAT2B (0.35) PDE4DPDE4APDE4BPDE4CAOC2
SCHEMBL17517935 0.85 CTSL (0.36) CTSLPDE4DPDE4APDE4BPDE4C
SCHEMBL27921573 0.84
SCHEMBL8196504 0.81 CTSL (0.34) CTSLPDE4DPDE4APDE4BPDE4C
SCHEMBL24186291 0.81 CTSL (0.34) CTSLPDE4DPDE4APDE4BPDE4C
SCHEMBL8230175 0.81 PDE4D (0.38) CTSLPDE4DPDE4APDE4BPDE4C
SCHEMBL13351557 0.81 PDE4D (0.38) CTSLPDE4DPDE4APDE4BPDE4C
SCHEMBL13351589 0.81 PDE4D (0.38) CTSLPDE4DPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9839665-B2 Aminostatin derivatives for the treatment of arthrosis MERCK PATENT GMBH (DE) 2017-12-12 US disclosed
US-20160228493-A1 AMINOSTATIN DERIVATIVES FOR THE TREATMENT OF ARTHROSIS MERCK PATENT GMBH (DE) 2016-08-11 US disclosed
EP-2673287-A1 AMINO STATIN DERIVATIVES FOR THE TREATMENT OF ARTHROSIS Merck Patent GmbH (DE) 2013-12-18 EP disclosed
WO-2012107153-A1 AMINO STATIN DERIVATIVESFOR THE TREATMENT OF ARTHROSIS MERCK PATENT GMBH (DE) 2012-08-16 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-20160228493-A1 AMINOSTATIN DERIVATIVES FOR THE TREATMENT OF ARTHROSIS CTSD, CTSB, CTSZ CTSL 4/4885PDE4D 2385/4885PDE4A 3497/4885

“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.