SCHEMBL13888701

SCHEMBL13888701

CNC(=O)C(NC(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 4/20 0.60
▸ CTSS P25774 4/20 0.60
▸ CTSK P43235 6/20 0.59
▸ CTSB P07858 5/20 0.59
▸ CASP3 P42574 2/20 0.58
▸ CA2 P00918 1/20 0.58
▸ CA5A P35218 1/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ LMNA P02545 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ CA1 P00915 1/20 0.56
▸ CTSD P07339 1/20 0.55
▸ CASP1 P29466 1/20 0.55
▸ CASP7 P55210 1/20 0.55
▸ CASP9 P55211 1/20 0.55
▸ CASP6 P55212 1/20 0.55
▸ CASP8 Q14790 1/20 0.55
▸ ATM Q13315 1/20 0.54

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
SCHEMBL5967917 1.00 CTSL (0.60) CTSLCTSSCTSKCTSBCASP3
SCHEMBL12588646 0.97 CASP3 (0.59) CTSLCTSSCTSKCTSBCASP3
SCHEMBL13888699 0.97 CASP3 (0.59) CTSLCTSSCTSKCTSBCASP3
SCHEMBL12588645 0.97 CASP3 (0.59) CTSLCTSSCTSKCTSBCASP3
SCHEMBL5967873 0.91 ECE1 (0.55) CTSLCTSSCTSKCTSBCASP3
SCHEMBL25693730 0.90 CTSS (0.73) CTSLCTSSCTSKCTSBMEN1
SCHEMBL19557810 0.89 CASP3 (0.61) CTSLCTSSCTSKCTSBCASP3
SCHEMBL10453618 0.89 CASP3 (0.61) CTSLCTSSCTSKCTSBCASP3
SCHEMBL8658774 0.88 MEN1 (0.74) CTSLCTSSCTSKCTSBCASP3
SCHEMBL13888698 0.88 MEN1 (0.74) CTSLCTSSCTSKCTSBCASP3

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
WO-2023178299-A1 PRODRUGS OF GANAXOLONE MARINUS PHARMACEUTICALS, INC. (US) 2023-09-21 — — WO disclosed
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
US-7517566-B2 Liquid crystal composition containing at least two gelling agents showing a liquid crystal phase at room temperature, one of which is self-organizing and has an intermolecular binding group-containing unit and a saturated aliphatic hydrocarbon group; improved in whiteness and brightness KONICA MINOLTA HOLDINGS, INC. (JP) 2009-04-14 — — 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 (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 CTSL 1363/4885CTSS 905/4885CTSK 566/4885
US-10590084-B2 Cyclic keto-amide compounds as calpain modulators and methods of production and use thereof CAPN1, CAPN9, CAPN2 CTSL 1363/4885CTSS 905/4885CTSK 566/4885

“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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