SCHEMBL20342186

SCHEMBL20342186

CCC(C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)C(N)=O)NC(C)=O)C(=O)N[C@H](C(N)=O)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAGI3 Q5TCQ9 1/20 0.46
▸ TASP1 Q9H6P5 1/20 0.45
▸ CASP1 P29466 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ CASP4 P49662 1/20 0.41
▸ CASP5 P51878 1/20 0.41
▸ CASP9 P55211 1/20 0.41
▸ CASP6 P55212 1/20 0.41
▸ CASP8 Q14790 1/20 0.41
▸ CASP10 Q92851 1/20 0.41
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ ENPEP Q07075 5/20 0.37
▸ PTPN1 P18031 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
SCHEMBL20342185 0.89 MAGI3 (0.44) MAGI3TASP1CASP1CASP3CASP4
SCHEMBL20335574 0.88 TASP1 (0.47) MAGI3TASP1CASP1CASP3CASP4
SCHEMBL21515972 0.88 TASP1 (0.47) MAGI3TASP1CASP1CASP3CASP4
SCHEMBL20335572 0.88 TASP1 (0.47) MAGI3TASP1CASP1CASP3CASP4
SCHEMBL20342204 0.88 TASP1 (0.47) MAGI3TASP1CASP1CASP3CASP4
SCHEMBL20335576 0.88 TASP1 (0.47) MAGI3TASP1CASP1CASP3CASP4
SCHEMBL20335561 0.86 TASP1 (0.46) MAGI3TASP1CASP1CASP3CASP4
SCHEMBL20335563 0.86 TASP1 (0.46) MAGI3TASP1CASP1CASP3CASP4
SCHEMBL20342215 0.86 TASP1 (0.46) MAGI3TASP1CASP1CASP3CASP4
SCHEMBL20335565 0.86 TASP1 (0.46) MAGI3TASP1CASP1CASP3CASP4

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
WO-2018122419-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2018-07-05 — — WO disclosed
EP-3342779-A1 INHIBITORS OF TRANSGLUTAMINASES Zedira GmbH (DE) 2018-07-04 — — 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 (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 MAGI3 812/4885TASP1 670/4885CASP1 3068/4885
US-11072634-B2 Inhibitors of transglutaminases TGM2, TGM3, TGM1 MAGI3 812/4885TASP1 670/4885CASP1 3068/4885

“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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