SCHEMBL13007019

SCHEMBL13007019

CC(=O)[C@H](CC(=O)O)NC(=O)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 16/20 0.64
ALDH1A1 P00352 1/20 0.61
ALOX15 P16050 1/20 0.61
CTSK P43235 3/20 0.56
CTSL P07711 1/20 0.55
CTSB P07858 1/20 0.55
CTSS P25774 1/20 0.55

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
SCHEMBL15381004 1.00 CASP1 (0.64) CASP1ALDH1A1ALOX15CTSKCTSL
SCHEMBL13788325 0.90 ALDH1A1 (0.60) CASP1ALDH1A1ALOX15CTSKCTSL
SCHEMBL6159279 0.88 CASP1 (0.64) CASP1CTSL
SCHEMBL1067460 0.88 CASP1 (0.64) CASP1ALDH1A1ALOX15CTSK
SCHEMBL19695419 0.88 CASP1 (0.64) CASP1ALDH1A1ALOX15CTSK
SCHEMBL13724740 0.88 CASP1 (0.64) CASP1ALDH1A1ALOX15CTSK
SCHEMBL8553630 0.88 CASP1 (0.64) CASP1CTSL
SCHEMBL376886 0.88 CASP1 (0.67) CASP1
SCHEMBL554032 0.88 CASP1 (0.67) CASP1
SCHEMBL4280669 0.88 CASP1 (0.67) CASP1

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-20230257375-A1 AZETIDINE DERIVATIVES FOR THE TREATMENT OF INTEGRIN ASSOCIATED DISEASES THE UNIVERSITY OF NOTTINGHAM (GB) 2023-08-17 US disclosed
EP-1501822-B1 PHTHALAZINONE DERIVATIVES KUDOS PHARM LTD (GB) 2010-12-15 EP 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-20230257375-A1 AZETIDINE DERIVATIVES FOR THE TREATMENT OF INTEGRIN ASSOCIATED DISEASES ITGA6, ITGA1, ITGA2 CASP1 3061/4885ALDH1A1 579/4885ALOX15 1550/4885

“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.