SCHEMBL2390908

SCHEMBL2390908

CC(C)(C)OC(=O)OC(=O)[C@@H](N)CC1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.40
CTSS P25774 2/20 0.40
METAP2 P50579 2/20 0.34
AAK1 Q2M2I8 1/20 0.34
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
REN P00797 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSH P09668 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
SCHEMBL10825237 0.98 CTSK (0.41) CTSKCTSSMETAP2SLC1A3SLC1A2
SCHEMBL8706603 0.88 CTSS (0.35) CTSKCTSSAAK1
SCHEMBL28764792 0.87 CTSK (0.43) CTSKCTSSMETAP2AAK1SLC1A3
SCHEMBL7358207 0.87 CPN1 (0.37) CTSKCTSS
SCHEMBL20244849 0.86 CTSK (0.45) CTSKCTSSMETAP2SLC1A3SLC1A2
SCHEMBL22090642 0.86 CTSK (0.45) CTSKCTSSMETAP2SLC1A3SLC1A2
SCHEMBL26805423 0.84 CTSK (0.40) CTSKCTSSMETAP2AAK1SLC1A3
SCHEMBL7379023 0.81 SOAT1 (0.44) CTSKMETAP2SLC1A3SLC1A2SLC1A1
SCHEMBL7381317 0.81 SOAT1 (0.44) CTSKMETAP2SLC1A3SLC1A2SLC1A1
SCHEMBL7380225 0.81 METAP2 (0.37) CTSKMETAP2AAK1SLC1A3SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086993-B1 MICHAEL SYSTEMS AS TRANSGLUTAMINASE INHIBITORS ZEDIRA GMBH (DE) 2015-03-11 EP disclosed
US-8471063-B2 Michael systems as transglutaminase inhibitors ZEDIRA GMBH (DE) 2013-06-25 US disclosed
US-20110229568-A1 MICHAEL SYSTEMS AS TRANSGLUTAMINASE INHIBITORS ZEDIRA GMBH (DE) 2011-09-22 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-20110229568-A1 MICHAEL SYSTEMS AS TRANSGLUTAMINASE INHIBITORS TGM2, TGM3, TGM1 CTSK 429/4885CTSS 97/4885METAP2 209/4885

“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.