SCHEMBL21750837

SCHEMBL21750837

CC(C)C(NC(=O)Cc1ccccc1)C(=O)NC(CCC(=O)O)C(=O)N1c2ncccc2C[C@H]1C(=O)NCc1nn[nH]n1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GZMB P10144 12/20 0.42
▸ XIAP P98170 2/20 0.40
▸ AKT1 P31749 1/20 0.33
▸ MC4R P32245 1/20 0.33
▸ MC3R P41968 1/20 0.33
▸ FFAR2 O15552 1/20 0.33
▸ MME P08473 1/20 0.33

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
SCHEMBL17491007 1.00 GZMB (0.42) GZMBXIAPAKT1MC4RMC3R
SCHEMBL19182566 1.00 GZMB (0.42) GZMBXIAPAKT1MC4RMC3R
SCHEMBL19181276 1.00 GZMB (0.42) GZMBXIAPAKT1MC4RMC3R
SCHEMBL17491013 0.94 GZMB (0.44) GZMBXIAP
SCHEMBL20845516 0.94 GZMB (0.41) GZMBXIAPFFAR2MME
SCHEMBL19182564 0.94 GZMB (0.44) GZMBXIAP
SCHEMBL21750850 0.94 GZMB (0.44) GZMBXIAP
SCHEMBL17490987 0.94 GZMB (0.41) GZMBXIAPFFAR2MME
SCHEMBL19181272 0.94 GZMB (0.44) GZMBXIAP
SCHEMBL19181281 0.94 GZMB (0.41) GZMBXIAPFFAR2MME

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 1 patent. 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

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-20200062803-A1 AZAINDOLINE COMPOUNDS AS GRANZYME B INHIBITORS GZMB, DNASE1L3, DNASE1 GZMB 1/4885XIAP 137/4885AKT1 1022/4885

“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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