SCHEMBL21111192

SCHEMBL21111192

CN1CCC[C@H](NC(=O)OCc2ccccc2)C(O)C1=O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 2/20 0.49
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
CTSB P07858 3/20 0.47
CTSK P43235 3/20 0.47
CTSS P25774 2/20 0.47
CTSL P07711 2/20 0.47
CASP3 P42574 2/20 0.46
TSHR P16473 1/20 0.46
EPHX1 P07099 1/20 0.46
DPP4 P27487 1/20 0.45
KCNH2 Q12809 1/20 0.45
DPP7 Q9UHL4 1/20 0.45

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
SCHEMBL21111184 0.86 CTSK (0.57) CTSBCTSKCTSSCTSLCASP3
SCHEMBL14337553 0.85 CASP3 (0.53) ALDH1A1GAACTSBCTSKCTSS
SCHEMBL13043811 0.85 CASP3 (0.53) ALDH1A1GAACTSBCTSKCTSS
SCHEMBL21110423 0.83 CTSK (0.56) CTSBCTSKCTSSCTSLCASP3
SCHEMBL13043801 0.80 CTSK (0.54) ALDH1A1GAACTSBCTSKCTSL
SCHEMBL14601914 0.80 CTSK (0.54) ALDH1A1GAACTSBCTSKCTSL
SCHEMBL6612597 0.79 EPHX1 (0.63) CPB1ALDH1A1GAACTSBCTSK
SCHEMBL28375938 0.78 CTSB (0.48) CPB1ALDH1A1GAACTSBCTSK
SCHEMBL19345760 0.78 EPHX1 (0.57) CPB1ALDH1A1GAACTSBCTSK
SCHEMBL7807139 0.77 GAA (0.44) CPB1ALDH1A1GAACTSBCTSK

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-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

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 CPB1 944/4885ALDH1A1 3594/4885GAA 1581/4885
US-10590084-B2 Cyclic keto-amide compounds as calpain modulators and methods of production and use thereof CAPN1, CAPN9, CAPN2 CPB1 944/4885ALDH1A1 3594/4885GAA 1581/4885

“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.