SCHEMBL22015448

SCHEMBL22015448

CN1CCN(CCS(=O)(=O)CCN)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
PAOX Q6QHF9 1/20 0.35
CA2 P00918 3/20 0.34
CA1 P00915 2/20 0.34
CA9 Q16790 2/20 0.34
ACE2 Q9BYF1 1/20 0.33
LOX P28300 2/20 0.32
NCF1 P14598 2/20 0.32
CHKA P35790 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
LMNA P02545 1/20 0.32
HTR7 P34969 1/20 0.31
TP53 P04637 1/20 0.30

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
SCHEMBL22014790 0.89 PAOX (0.41) ALOX15PAOXCA2CA1CA9
SCHEMBL13485582 0.87 PAOX (0.39) PAOXCA2CA1CA9HTR7
SCHEMBL22014792 0.82 KEAP1 (0.39) ALOX15ACE2LOX
SCHEMBL18803169 0.81 PAOX (0.38) PAOXCA2CA1CA9HTR7
SCHEMBL22779960 0.81 ALOX15 (0.33) ALOX15
SCHEMBL14157926 0.80 PAOX (0.35) PAOXCA2CA1CA9HTR7
SCHEMBL4564530 0.77 PAOX (0.47) PAOXHTR7
SCHEMBL17102198 0.77 CA2 (0.40) ALOX15PAOXCA2CA1CA9
SCHEMBL12015831 0.74 PAOX (0.39) PAOXCA2CA1CA9LMNA
SCHEMBL10067366 0.73 PAOX (0.37) PAOXCA2CA1CA9LMNA

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-20220017516-A1 LOX INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2022-01-20 US disclosed
WO-2020099886-A1 LOX INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2020-05-22 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-20220017516-A1 LOX INHIBITORS LOXL1, LOX, LOXL2 ALOX15 8/4885PAOX 35/4885CA2 2865/4885

“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.