SCHEMBL21963793

SCHEMBL21963793

CC(C)(C)OC(=O)NCCS(=O)(=O)c1cccc(C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.47
CA2 P00918 7/20 0.47
CYP2C19 P33261 1/20 0.46
CA12 O43570 5/20 0.45
CA9 Q16790 5/20 0.45
NQO2 P16083 1/20 0.44
AKR1C3 P42330 5/20 0.43
F2 P00734 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEP1B Q16820 2/20 0.43
HTT P42858 1/20 0.42

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
SCHEMBL31235342 1.00 CA1 (0.47) CA1CA2CYP2C19CA12CA9
SCHEMBL1542090 0.86 L3MBTL1 (0.57) CA1CA2CA12CA9L3MBTL1
SCHEMBL19707179 0.85 NQO2 (0.54) CA1CA2CA12CA9NQO2
SCHEMBL3711894 0.85 CA1 (0.50) CA1CA2CA12CA9L3MBTL1
SCHEMBL1710609 0.80 CA2 (0.48) CA1CA2CA12CA9NQO2
SCHEMBL27165592 0.80 MEP1B (0.40) CA1CA2CYP2C19AKR1C3F2
SCHEMBL30782049 0.80 MEP1B (0.40) CA1CA2CYP2C19AKR1C3F2
SCHEMBL27165701 0.80 MEP1B (0.40) CA1CA2CYP2C19AKR1C3F2
SCHEMBL21528029 0.80 CA1 (0.46) CA1CA2CA12CA9NQO2
SCHEMBL23745906 0.79 STAT3 (0.39) CA1CA2CYP2C19CA12CA9

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 6 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
US-20220017516-A1 LOX INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2022-01-20 US disclosed
EP-3880664-A1 LOX INHIBITORS The Institute of Cancer Research: Royal Cancer Hospital (GB) 2021-09-22 EP disclosed
CN-113365984-A LOX inhibitors 癌症研究协会皇家癌症医院 2021-09-07 CN disclosed
WO-2020099886-A1 LOX INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2020-05-22 WO 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 CA1 4120/4885CA2 2865/4885CYP2C19 92/4885

“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.