SCHEMBL22674900

SCHEMBL22674900

C[C@H](NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCCN)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 7/20 0.39
▸ ITGA2B P08514 7/20 0.39
▸ FURIN P09958 6/20 0.36
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ F10 P00742 1/20 0.36
▸ TLR2 O60603 1/20 0.36

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
SCHEMBL22674921 0.88 NMT2 (0.40) ITGB3ITGA2BFURINCTSSCTSK
SCHEMBL22674899 0.84 FURIN (0.42) FURINTLR2
SCHEMBL30435754 0.80 NOD1 (0.46) FURINTLR2
SCHEMBL29503454 0.79 SLC6A5 (0.48) ITGB3ITGA2BCTSSCTSK
SCHEMBL10864620 0.79 NOD1 (0.53) ITGB3ITGA2BTLR2
SCHEMBL7782848 0.79 CTSK (0.49) ITGB3ITGA2BCTSSCTSKTLR2
SCHEMBL2804552 0.78 CTSK (0.49) ITGB3ITGA2BCTSSCTSK
SCHEMBL12015102 0.78 CTSK (0.49) ITGB3ITGA2BCTSSCTSK
SCHEMBL13997353 0.77 ITGB3 (0.48) ITGB3ITGA2BCTSSCTSKTLR2
SCHEMBL29918164 0.77 NPSR1 (0.40) CTSSCTSK

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-20200361987-A1 DEUTERATED TETRAPEPTIDES THAT TARGET MITOCHONDRIA STEALTH BIOTHERAPEUTICS INC. 2020-11-19 — — 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-20200361987-A1 DEUTERATED TETRAPEPTIDES THAT TARGET MITOCHONDRIA ABAT, SSBP1, PDF ITGB3 4715/4885ITGA2B 4844/4885FURIN 2315/4885

“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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