SCHEMBL25254058

SCHEMBL25254058

CC(C)(C)OC(=O)N[C@@H](CCC(=O)O)COS(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CTSK P43235 8/20 0.37
CTSS P25774 5/20 0.36
PLA2G2C Q5R387 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
SYK P43405 1/20 0.35
ANPEP P15144 1/20 0.34
ENPEP Q07075 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL2909087 1.00 ATM (0.37) ATMCA1CA2CA7CTSK
SCHEMBL25291413 1.00 ATM (0.37) ATMCA1CA2CA7CTSK
SCHEMBL23833215 0.88 CTSK (0.36) ATMCA1CA2CA7CTSK
SCHEMBL22006099 0.88 CA2 (0.40) ATMCA1CA2CA7CTSK
SCHEMBL23833121 0.88 CTSK (0.36) ATMCA1CA2CA7CTSK
SCHEMBL23833119 0.88 CTSK (0.36) ATMCA1CA2CA7CTSK
SCHEMBL2013068 0.87 CA1 (0.44) ATMCA1CA2CA7CTSK
SCHEMBL22409473 0.86 CA1 (0.39) ATMCA1CA2CA7CTSK
SCHEMBL3676474 0.86 CA1 (0.39) ATMCA1CA2CA7CTSK
SCHEMBL6333451 0.86 CA1 (0.39) ATMCA1CA2CA7CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11981661-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-05-14 US disclosed
EP-4208456-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2023-07-12 EP 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-11981661-B2 Heterocyclic compounds CBR3, BRIX1, CCNY ATM 4075/4885CA1 3624/4885CA2 3696/4885

“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.