SCHEMBL22014790

SCHEMBL22014790

CN1CCN(CCCS(=O)(=O)CCN)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.41
ALOX15 P16050 1/20 0.38
HTR7 P34969 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
KEAP1 Q14145 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
CSNK2A3 Q8NEV1 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
TSHR P16473 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33

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
SCHEMBL4564530 0.90 PAOX (0.47) PAOXHTR7SIGMAR1CSNK2A2CSNK2B
SCHEMBL22015448 0.89 ALOX15 (0.41) PAOXALOX15HTR7ACE2CA1
SCHEMBL22014792 0.87 KEAP1 (0.39) ALOX15ACE2SIGMAR1KEAP1SMN1; SMN2
SCHEMBL31457403 0.82 PAOX (0.44) PAOXHTR7SIGMAR1SMN1; SMN2CSNK2A2
SCHEMBL3903913 0.79 PAOX (0.44) PAOXHTR7SIGMAR1CSNK2A2CSNK2B
SCHEMBL22015437 0.76
SCHEMBL24209013 0.76 SIGMAR1 (0.41) ALOX15HTR7ACE2SIGMAR1KEAP1
SCHEMBL13485582 0.76 PAOX (0.39) PAOXHTR7SIGMAR1SMN1; SMN2CA1
SCHEMBL248151 0.75 KEAP1 (0.56) PAOXALOX15ACE2SIGMAR1KEAP1
SCHEMBL3903911 0.75 PAOX (0.44) PAOXHTR7SIGMAR1CSNK2A2CSNK2B

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 PAOX 35/4885ALOX15 8/4885HTR7 2801/4885

“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.