SCHEMBL19345927

SCHEMBL19345927

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CTSK P43235 8/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CTSS P25774 6/20 0.34
▸ REN P00797 3/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CTSL P07711 1/20 0.33
▸ CTSB P07858 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
SCHEMBL19346052 0.96 TDP1 (0.39) CAPN1CA1CA2CA7CTSK
SCHEMBL13223280 0.90 CAPN1 (0.43) CAPN1CA1CA2CA7CTSK
SCHEMBL19345932 0.85 CA1 (0.42) CAPN1CA1CA2CA7CTSK
SCHEMBL19345914 0.79 CA1 (0.46) CA1CA2CA7CTSKMEN1
SCHEMBL13223277 0.79 CA1 (0.46) CA1CA2CA7CTSKMEN1
SCHEMBL8051422 0.79 ALDH1A1 (0.43) CA1CA2CA7CTSKMEN1
SCHEMBL7441196 0.79 CA1 (0.49) CA1CA2CA7CTSKCTSS
SCHEMBL7514465 0.79 CA1 (0.49) CA1CA2CA7CTSKCTSS
SCHEMBL29458939 0.78 CA1 (0.45) CA1CA2CA7CTSKCTSS
SCHEMBL3637995 0.77 TDP1 (0.59) CA1CA2MEN1GAAKMT2A

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-10590084-B2 Cyclic keto-amide compounds as calpain modulators and methods of production and use thereof BLADE THERAPEUTICS, INC. (US) 2020-03-17 — — US disclosed
US-20190194139-A1 CYCLIC KETO-AMIDE COMPOUNDS AS CALPAIN MODULATORS AND METHODS OF PRODUCTION AND USE THEREOF BLADE THERAPEUTICS, INC. (US) 2019-06-27 — — US disclosed
WO-2017156071-A1 CYCLIC KETO-AMIDE COMPOUNDS AS CALPAIN MODULATORS AND METHODS OF PRODUCTION AND USE THEREOF BLADE THERAPEUTICS, INC. (US) 2017-09-14 — — 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 (2 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-20190194139-A1 CYCLIC KETO-AMIDE COMPOUNDS AS CALPAIN MODULATORS AND METHODS OF PRODUCTION AND USE THEREOF CAPN1, CAPN9, CAPN2 CAPN1 1/4885CA1 508/4885CA2 73/4885
US-10590084-B2 Cyclic keto-amide compounds as calpain modulators and methods of production and use thereof CAPN1, CAPN9, CAPN2 CAPN1 1/4885CA1 508/4885CA2 73/4885

“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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