SCHEMBL20701864

SCHEMBL20701864

CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)N1C(=O)N(C(=O)O)CC1C(=O)NCc1nn[nH]n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 1/20 0.41
TLR1 Q15399 1/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
CTSL P07711 1/20 0.39
KLK7 P49862 2/20 0.37
KLK5 Q9Y337 2/20 0.37
CMA1 P23946 1/20 0.36
MAPT P10636 1/20 0.36
BCHE P06276 2/20 0.36
ACHE P22303 2/20 0.36
CACNA1F O60840 1/20 0.36
CACNA1D Q01668 1/20 0.36
CACNA1S Q13698 1/20 0.36
CACNA1C Q13936 1/20 0.36
CXCR3 P49682 2/20 0.35
CCKBR P32239 1/20 0.35
PLG P00747 1/20 0.35

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
SCHEMBL20701867 1.00 TLR2 (0.41) TLR2TLR1ITGB3ITGA2BCTSL
SCHEMBL20701984 0.92 GZMB (0.39) TLR2TLR1ITGB3ITGA2BCTSL
SCHEMBL20701987 0.92 GZMB (0.39) TLR2TLR1ITGB3ITGA2BCTSL
SCHEMBL20701989 0.92 GZMB (0.39) TLR2TLR1ITGB3ITGA2BCTSL
SCHEMBL20701839 0.87 CTSL (0.38) TLR2TLR1ITGB3ITGA2BCTSL
SCHEMBL20701840 0.82 TLR2 (0.38) TLR2TLR1ITGB3ITGA2BCTSL
SCHEMBL17600357 0.79 XIAP (0.40) CXCR3
SCHEMBL17600510 0.79 XIAP (0.40) CXCR3
SCHEMBL17600355 0.79 XIAP (0.40) CXCR3
SCHEMBL17600359 0.79 XIAP (0.40) CXCR3

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
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-20190151484-A2 CYCLIC UREA COMPOUNDS AS GRANZYME B INHIBITORS VIDA THERAPEUTICS INC. (CA) 2019-05-23 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 TLR2 2069/4885TLR1 1572/4885ITGB3 675/4885

“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.