SCHEMBL22015808

SCHEMBL22015808

CC(C)(C)OC(=O)NCCS(=O)(=O)c1ccc(N)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 13/20 0.54
CA1 P00915 12/20 0.54
CA12 O43570 6/20 0.54
CA9 Q16790 6/20 0.54
GAA P10253 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
DHFR P00374 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MALT1 Q9UDY8 1/20 0.41
IDO1 P14902 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL30958265 0.87 CA2 (0.54) CA2CA1CA12CA9IDO1
SCHEMBL1926110 0.87 CA1 (0.52) CA2CA1CA12CA9GAA
SCHEMBL22015794 0.87 CA1 (0.52) CA2CA1CA12CA9GAA
SCHEMBL22015786 0.86 CA1 (0.51) CA2CA1CA12CA9GAA
SCHEMBL3184725 0.86 KMT2A (0.52) CA2CA1CA12CA9TDP1
SCHEMBL1542090 0.86 L3MBTL1 (0.57) CA2CA1CA12CA9MALT1
SCHEMBL3711894 0.85 CA1 (0.50) CA2CA1CA12CA9GAA
SCHEMBL447708 0.84 CA1 (0.49) CA2CA1CA12CA9
SCHEMBL21963915 0.83 CA1 (0.48) CA2CA1CA12CA9GAA
SCHEMBL3228310 0.83 CA2 (0.49) CA2CA1CA12CA9MALT1

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 CA2 2865/4885CA1 4120/4885CA12 4334/4885

“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.