SCHEMBL20338757

SCHEMBL20338757

CC(C)(C)OC(=O)[C@H](CCCC(=O)C=[N+]=[N-])N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.35
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.30

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
SCHEMBL20338753 1.00 FAAH (0.35) FAAHHDAC1HDAC2HDAC6ALDH1A1
SCHEMBL20338800 0.92 HDAC6 (0.31) FAAHHDAC6
SCHEMBL20338802 0.92 HDAC6 (0.31) FAAHHDAC6
SCHEMBL25637462 0.77 CA14 (0.41) HDAC1HDAC2HDAC6ALDH1A1
SCHEMBL13007474 0.76 TDP1 (0.37) HDAC1HDAC2HDAC6
SCHEMBL21685040 0.76 TDP1 (0.37) HDAC1HDAC2HDAC6
SCHEMBL17614515 0.76 CA2 (0.40) HDAC1HDAC2HDAC6
SCHEMBL17364213 0.75 HDAC6 (0.33) HDAC1HDAC2HDAC6
SCHEMBL17369175 0.75 HDAC6 (0.33) HDAC1HDAC2HDAC6
SCHEMBL17309877 0.75 TDP1 (0.39) HDAC1HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3405477-B1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-06-07 — — EP disclosed
US-11072634-B2 Inhibitors of transglutaminases ZEDIRA GMBH (DE) 2021-07-27 — — US disclosed
US-20190322700-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2019-10-24 — — US disclosed
EP-3405477-A1 INHIBITORS OF TRANSGLUTAMINASES Zedira GmbH (DE) 2018-11-28 — — EP disclosed
WO-2018122419-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2018-07-05 — — 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 (2 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-20190322700-A1 INHIBITORS OF TRANSGLUTAMINASES TGM2, TGM3, TGM1 FAAH 1023/4885HDAC1 876/4885HDAC2 1031/4885
US-11072634-B2 Inhibitors of transglutaminases TGM2, TGM3, TGM1 FAAH 1023/4885HDAC1 876/4885HDAC2 1031/4885

“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.

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