SCHEMBL29970916

SCHEMBL29970916

CC(C)(C)OC(=O)NCc1ccc(Sc2cc(Br)cc(S(C)(=O)=O)c2)s1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.35
CA2 P00918 9/20 0.35
CA12 O43570 7/20 0.35
CA9 Q16790 6/20 0.35
BRD9 Q9H8M2 1/20 0.34
BAZ2B Q9UIF8 1/20 0.34
BAZ2A Q9UIF9 1/20 0.34
KDM4A O75164 1/20 0.33
MMP13 P45452 1/20 0.32
EPAS1 Q99814 1/20 0.32
LOXL3 P58215 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
LOX P28300 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31

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
SCHEMBL19274714 1.00 CA1 (0.35) CA1CA2CA12CA9BRD9
SCHEMBL19274560 0.86 KDM4A (0.35) CA1CA2CA9KDM4ACA7
SCHEMBL19259981 0.86 LOXL3 (0.36) LOXL3LOXL2LOX
SCHEMBL19274827 0.84 KDM4A (0.34) KDM4A
SCHEMBL30699946 0.84 ALDH1A1 (0.33) MMP13
SCHEMBL29971317 0.81 LOX (0.51) LOXL3LOXL2LOX
SCHEMBL19274454 0.81 LOX (0.51) LOXL3LOXL2LOX
SCHEMBL19274513 0.78 KDM4A (0.43) CA1CA12KDM4AMMP13CA7
SCHEMBL29971392 0.77 IDO1 (0.41) CA1CA2CA12CA9KDM4A
SCHEMBL28657087 0.76 LOXL2 (0.36) LOXL3LOXL2LOX

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-11608330-B2 Methylamine derivatives as lysysl oxidase inhibitors for the treatment of cancer THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2023-03-21 US disclosed
US-20220372028-A1 Methylamine Derivatives as Lysysl Oxidase Inhibitors for the Treatment of Cancer THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2022-11-24 US 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 (2 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-20220372028-A1 Methylamine Derivatives as Lysysl Oxidase Inhibitors for the Treatment of Cancer LOXL1, LOXL3, LOXL2 CA1 4769/4885CA2 3985/4885CA12 4411/4885
US-11608330-B2 Methylamine derivatives as lysysl oxidase inhibitors for the treatment of cancer LOXL1, LOXL3, LOXL2 CA1 4769/4885CA2 3985/4885CA12 4411/4885

“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.