SCHEMBL20701737

SCHEMBL20701737

C=CC[C@@]1(C(=O)O)CN(C(=O)OCc2ccccc2)C(=O)N1C(=O)[C@H](CCC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 2/20 0.39
KLK5 Q9Y337 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
TLR2 O60603 1/20 0.38
TLR1 Q15399 1/20 0.38
CTSL P07711 1/20 0.37
PPARA Q07869 2/20 0.37
SYK P43405 1/20 0.37
CCKBR P32239 2/20 0.36
BCHE P06276 2/20 0.35
ACHE P22303 2/20 0.35
CACNA1F O60840 1/20 0.35
CACNA1D Q01668 1/20 0.35
CACNA1S Q13698 1/20 0.35
CACNA1C Q13936 1/20 0.35
CTSS P25774 1/20 0.35
FAAH O00519 1/20 0.35
PPARG P37231 1/20 0.35
TGM2 P21980 2/20 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
SCHEMBL21619214 0.78 KLK7 (0.44) KLK7KLK5ITGB3ITGA2BTLR2
SCHEMBL21619213 0.78 KLK7 (0.44) KLK7KLK5ITGB3ITGA2BTLR2
SCHEMBL20701381 0.78 KLK7 (0.44) KLK7KLK5ITGB3ITGA2BTLR2
SCHEMBL20701384 0.78 KLK7 (0.44) KLK7KLK5ITGB3ITGA2BTLR2
SCHEMBL20701740 0.78 CTSL (0.41) KLK7KLK5ITGB3ITGA2BTLR2
SCHEMBL31360771 0.76 SMN1; SMN2 (0.49) KLK7KLK5TLR2TLR1CTSL
SCHEMBL21246541 0.74 ITGB3 (0.44) KLK7KLK5ITGB3ITGA2BTLR2
SCHEMBL8984141 0.73 PPARA (0.54) KLK7KLK5TLR2TLR1CTSL
SCHEMBL1517760 0.72 PPARA (0.55) KLK7KLK5TLR2TLR1CTSL
SCHEMBL3817109 0.72 PPARA (0.55) KLK7KLK5TLR2TLR1CTSL

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 KLK7 608/4885KLK5 1253/4885ITGB3 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.