SCHEMBL19182557

SCHEMBL19182557

CC[C@H](C)[C@H](NC(=O)CCC(=O)O)C(=O)NC(CCC(=O)OCc1ccccc1)C(=O)N1c2ncccc2CC1C(=O)NCCc1nn[nH]n1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GZMB P10144 6/20 0.37
▸ HDAC8 Q9BY41 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ REN P00797 1/20 0.32
▸ CCKBR P32239 1/20 0.31
▸ ACE P12821 2/20 0.31
▸ BCHE P06276 2/20 0.31
▸ ACHE P22303 2/20 0.31
▸ CTSL P07711 1/20 0.31
▸ CTSB P07858 1/20 0.31
▸ CTSS P25774 1/20 0.31
▸ CACNA1F O60840 1/20 0.31
▸ CACNA1D Q01668 1/20 0.31
▸ CACNA1S Q13698 1/20 0.31
▸ CACNA1C Q13936 1/20 0.31

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
SCHEMBL19182556 1.00 GZMB (0.37) GZMBHDAC8MEN1ALDH1A1HPGD
SCHEMBL21750853 0.92 GZMB (0.40) GZMBALDH1A1
SCHEMBL19182477 0.92 GZMB (0.40) GZMBALDH1A1
SCHEMBL19182476 0.92 GZMB (0.40) GZMBALDH1A1
SCHEMBL19180886 0.89 GZMB (0.43) GZMB
SCHEMBL19182493 0.89 XIAP (0.37) GZMBCCKBRACE
SCHEMBL19182492 0.89 XIAP (0.37) GZMBCCKBRACE
SCHEMBL21750834 0.86 GZMB (0.46) GZMB
SCHEMBL17490990 0.86 GZMB (0.46) GZMB
SCHEMBL19181349 0.86 GZMB (0.46) GZMB

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
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-20170218014-A1 AZAINDOLINE COMPOUNDS AS GRANZYME B INHIBITORS VIDA THERAPEUTICS INC. (CA) 2017-08-03 — — 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 (3 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 GZMB 1/4885HDAC8 960/4885MEN1 1894/4885
US-10246487-B2 Azaindoline compounds as granzyme B inhibitors GZMB, DNASE1L3, DNASE1 GZMB 1/4885HDAC8 960/4885MEN1 1894/4885
US-20200062803-A1 AZAINDOLINE COMPOUNDS AS GRANZYME B INHIBITORS GZMB, DNASE1L3, DNASE1 GZMB 1/4885HDAC8 960/4885MEN1 1894/4885

“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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