SCHEMBL20701586

SCHEMBL20701586

CCC(C)C(NC(=O)OC(C)(C)C)C(=O)NC(CCC(=O)O)C(=O)N1C(=O)N(C2CCCCC2)C[C@H]1C(=O)NCc1nn[nH]n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GZMB P10144 2/20 0.38
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
ITGB3 P05106 8/20 0.33
ITGA2B P08514 8/20 0.33
BACE1 P56817 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
CMA1 P23946 1/20 0.33
KMT2A Q03164 1/20 0.32
REN P00797 2/20 0.32
GCGR P47871 1/20 0.32
CTSD P07339 1/20 0.32
CTSE P14091 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
SCHEMBL20701584 1.00 GZMB (0.38) GZMBCTSSCTSKITGB3ITGA2B
SCHEMBL20701589 1.00 GZMB (0.38) GZMBCTSSCTSKITGB3ITGA2B
SCHEMBL20701312 0.90 GZMB (0.40) GZMB
SCHEMBL17481543 0.90 GZMB (0.40) GZMB
SCHEMBL20701315 0.90 GZMB (0.40) GZMB
SCHEMBL20986949 0.90 GZMB (0.38) GZMBITGB3ITGA2BCMA1KMT2A
SCHEMBL19180871 0.81 GZMB (0.43) GZMBHDAC8KMT2ARENCTSD
SCHEMBL19180870 0.81 GZMB (0.43) GZMBHDAC8KMT2ARENCTSD
SCHEMBL19210103 0.80 GZMB (0.41) GZMBGCGR
SCHEMBL17481545 0.80 GZMB (0.41) GZMBGCGR

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-3186270-B1 CYCLIC UREA COMPOUNDS AS GRANZYME B INHIBITORS VIDA THERAPEUTICS INC (CA) 2020-02-19 EP disclosed
US-10537652-B2 Cyclic urea compounds as granzyme B inhibitors VIDA THERAPEUTICS INC. (CA) 2020-01-21 US disclosed
US-20190038602-A1 GRANZYME B INHIBITOR FORMULATIONS AND METHODS FOR THE TREATMENT OF BURNS VIDA THERAPEUTICS, INC. (CA) 2019-02-07 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-20190038602-A1 GRANZYME B INHIBITOR FORMULATIONS AND METHODS FOR THE TREATMENT OF BURNS GZMB, CTSB, SERPINB1 GZMB 1/4885CTSS 37/4885CTSK 14/4885

“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.