SCHEMBL17577036

SCHEMBL17577036

CC(C)C[C@@H](CCCC(=O)O)NC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PLA2G10 O15496 2/20 0.55
▸ CAPN1 P07384 1/20 0.47
▸ CTSK P43235 2/20 0.47
▸ CTSL P07711 2/20 0.47
▸ CTSB P07858 1/20 0.47
▸ CTSS P25774 1/20 0.47
▸ AAK1 Q2M2I8 4/20 0.46
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA7 P43166 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ FOLH1 Q04609 3/20 0.40

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
SCHEMBL7434716 0.91 PLA2G10 (0.51) PLA2G10CAPN1CTSKCTSLCTSB
SCHEMBL29846262 0.87 CA1 (0.48) PLA2G10CAPN1CTSKCTSLCTSB
SCHEMBL7444041 0.85 TDP1 (0.49) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL28166482 0.85 CTSK (0.44) PLA2G10CTSKCTSSCA1CA2
SCHEMBL19227630 0.82 CA1 (0.58) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL4934738 0.81 CTSS (0.51) PLA2G10CAPN1CTSKCTSLCTSB
SCHEMBL57148 0.81 CA1 (0.50) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL9396774 0.81 CA1 (0.46) CTSKCTSLCTSBCTSSCA1
SCHEMBL18866617 0.81 CA1 (0.46) CTSKCTSLCTSBCTSSCA1
SCHEMBL56754 0.81 CTSS (0.51) PLA2G10CAPN1CTSKCTSLCTSB

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-9732105-B2 Targeted nitroxide agents University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-08-15 — — US disclosed
US-9732105-B2 Targeted nitroxide agents University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-08-15 — — US disclosed
US-20160068556-A1 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2016-03-10 — — 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-20160068556-A1 TARGETED NITROXIDE AGENTS NOXO1, NOX1, TPX2 PLA2G10 4733/4885CAPN1 733/4885CTSK 2657/4885

“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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