SCHEMBL18103844

SCHEMBL18103844

CC(C)(C)OC(=O)NC(CCC(=O)OCc1ccccc1)C(=O)N1c2ncccc2CC1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.46
▸ KLK7 P49862 1/20 0.44
▸ KLK5 Q9Y337 1/20 0.44
▸ ITGB3 P05106 1/20 0.42
▸ ITGA2B P08514 1/20 0.42

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
SCHEMBL19180861 1.00 ACE (0.46) ACEKLK7KLK5ITGB3ITGA2B
SCHEMBL19181370 1.00 ACE (0.46) ACEKLK7KLK5ITGB3ITGA2B
SCHEMBL18103842 1.00 ACE (0.46) ACEKLK7KLK5ITGB3ITGA2B
SCHEMBL19181297 0.92 KLK7 (0.51) ACEKLK7KLK5
SCHEMBL19181299 0.92 KLK7 (0.51) ACEKLK7KLK5
SCHEMBL19181972 0.91 ACE (0.40) ACE
SCHEMBL19181973 0.91 ACE (0.40) ACE
SCHEMBL18103807 0.91 ACE (0.42) ACEKLK7KLK5
SCHEMBL18103810 0.91 ACE (0.42) ACEKLK7KLK5
SCHEMBL19181345 0.87 ACE (0.40) ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200062803-A1 AZAINDOLINE COMPOUNDS AS GRANZYME B INHIBITORS VIDA THERAPEUTICS INC. (CA) 2020-02-27 — — US disclosed
US-10246487-B2 Azaindoline compounds as granzyme B inhibitors VIDA THERAPEUTICS INC. (CA) 2019-04-02 — — US disclosed
US-9969772-B2 Covalent granzyme B inhibitors VIDA THERAPEUTICS INC. (CA) 2018-05-15 — — US disclosed
US-20170218014-A1 AZAINDOLINE COMPOUNDS AS GRANZYME B INHIBITORS VIDA THERAPEUTICS INC. (CA) 2017-08-03 — — US disclosed
US-20170015707-A1 COVALENT GRANZYME B INHIBITORS VIDA THERAPEUTICS INC. (CA) 2017-01-19 — — US disclosed
US-9458192-B1 Covalent granzyme B inhibitors VIDA THERAPEUTICS INC. (CA) 2016-10-04 — — 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 (4 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-20170218014-A1 AZAINDOLINE COMPOUNDS AS GRANZYME B INHIBITORS GZMB, DNASE1L3, DNASE1 ACE 3216/4885KLK7 1326/4885KLK5 719/4885
US-10246487-B2 Azaindoline compounds as granzyme B inhibitors GZMB, DNASE1L3, DNASE1 ACE 3216/4885KLK7 1326/4885KLK5 719/4885
US-20200062803-A1 AZAINDOLINE COMPOUNDS AS GRANZYME B INHIBITORS GZMB, DNASE1L3, DNASE1 ACE 3216/4885KLK7 1326/4885KLK5 719/4885
US-20170015707-A1 COVALENT GRANZYME B INHIBITORS GZMB, CTSB, DNASE1L3 ACE 2540/4885KLK7 1330/4885KLK5 617/4885

“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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