SCHEMBL29440261

SCHEMBL29440261

COC(=O)[C@H](CN1CCNC1=O)NC(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KYNU Q16719 1/20 0.51
GAA P10253 1/20 0.50
ALDH1A1 P00352 1/20 0.49
ALOX15 P16050 1/20 0.49
CTSL P07711 5/20 0.47
CTSK P43235 5/20 0.47
CTSS P25774 4/20 0.47
CTSB P07858 4/20 0.47
CASP1 P29466 4/20 0.47
OPRK1 P41145 1/20 0.46

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
SCHEMBL31376796 0.89 GAA (0.50) GAACTSLCTSKCTSSCTSB
SCHEMBL29062806 0.89 GAA (0.50) GAACTSLCTSKCTSSCTSB
SCHEMBL8312973 0.83 CTSK (0.56) CTSLCTSKCTSSCTSB
SCHEMBL6506646 0.82 CASP1 (0.59) KYNUALDH1A1ALOX15CTSLCTSK
SCHEMBL8142600 0.81 CASP1 (0.56) KYNUALDH1A1ALOX15CTSLCTSK
SCHEMBL13914058 0.81 CTSK (0.53) CTSLCTSKCTSSCTSB
SCHEMBL29062923 0.81 ALDH1A1 (0.50) KYNUALDH1A1ALOX15CTSLCTSK
SCHEMBL29062922 0.81 ALDH1A1 (0.50) KYNUALDH1A1ALOX15CTSLCTSK
SCHEMBL8296213 0.78 CASP1 (0.61) KYNUALDH1A1ALOX15CTSLCTSK
SCHEMBL6497607 0.78 CASP1 (0.61) KYNUALDH1A1ALOX15CTSLCTSK

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
WO-2025011610-A1 AMIDE DERIVATIVE, AND COMPOSITION AND USE THEREOF 深圳市塔吉瑞生物医药有限公司 2025-01-16 WO disclosed
US-20230340018-A1 MPRO CYSTEINE PROTEASE INHIBITORS ANIXA BIOSCIENCES, INC. 2023-10-26 US disclosed
WO-2022040186-A1 MPRO CYSTEINE PROTEASE INHIBITORS ANIXA BIOSCIENCES, INC. (US) 2022-02-24 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 (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-20230340018-A1 MPRO CYSTEINE PROTEASE INHIBITORS SERPINB1, PREP, PRCP KYNU 2096/4885GAA 299/4885ALDH1A1 3225/4885

“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.