SCHEMBL20028616

SCHEMBL20028616

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nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.54
CTSK P43235 3/20 0.54
PSENEN Q9NZ42 1/20 0.46
CA2 P00918 3/20 0.42
JAK3 P52333 1/20 0.42
BTK Q06187 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
CA1 P00915 1/20 0.41
CA7 P43166 1/20 0.41
HTT P42858 1/20 0.39
CYP2D6 P10635 1/20 0.38

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
SCHEMBL1204596 1.00 CTSS (0.54) CTSSCTSKPSENENCA2JAK3
SCHEMBL12189209 1.00 CTSS (0.54) CTSSCTSKPSENENCA2JAK3
SCHEMBL1204594 1.00 CTSS (0.54) CTSSCTSKPSENENCA2JAK3
SCHEMBL14779115 0.87 CTSK (0.58) CTSSCTSKPSENENCA2KDM4E
SCHEMBL1655475 0.85 CTSK (0.49) CTSSCTSKPSENENCA2JAK3
SCHEMBL4476337 0.85 CTSK (0.49) CTSSCTSKPSENENCA2JAK3
SCHEMBL4476340 0.85 CTSK (0.49) CTSSCTSKPSENENCA2JAK3
SCHEMBL12878138 0.84 CTSK (0.56) CTSSCTSKPSENENCA2KDM4E
SCHEMBL23990580 0.82 JAK3 (0.41) CTSSCTSKPSENENCA2JAK3
SCHEMBL8933949 0.82 CTSK (0.57) CTSSCTSKPSENENCA2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339130-B1 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-05-24 US disclosed
US-10934261-B2 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2021-03-02 US disclosed
US-10894776-B2 2021-01-19 US disclosed
WO-2018064119-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2018-04-05 WO 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-10934261-B2 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 CTSS 210/4885CTSK 174/4885PSENEN 401/4885
US-10894776-B2 CAPNS1, CAPN9, CAPN2 CTSS 199/4885CTSK 307/4885PSENEN 150/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 CTSS 210/4885CTSK 174/4885PSENEN 401/4885

“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.