SCHEMBL19274606

SCHEMBL19274606

CC(C)(C)OC(=O)NCc1ncc(SC2CCCCC2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.42
▸ EPHX1 P07099 1/20 0.41
▸ GFER P55789 1/20 0.38
▸ CCNB2 O95067 1/20 0.37
▸ CCNE2 O96020 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ CDK4 P11802 1/20 0.37
▸ CCNB1 P14635 1/20 0.37
▸ CCND1 P24385 1/20 0.37
▸ CCNE1 P24864 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CCNB3 Q8WWL7 1/20 0.37
▸ FPR3 P25089 2/20 0.37
▸ FPR2 P25090 2/20 0.37
▸ GLS O94925 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35

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
SCHEMBL19274483 0.83 PDPK1 (0.46) PDPK1GFERCCNB2CCNE2CDK1
SCHEMBL17168919 0.81 PDPK1 (0.47) PDPK1GFERCCNB2CCNE2CDK1
SCHEMBL19274584 0.79 PDPK1 (0.46) PDPK1CCNB2CCNE2CDK1CDK4
SCHEMBL19274577 0.77 PDPK1 (0.44) PDPK1CCNB2CCNE2CDK1CDK4
SCHEMBL19274562 0.76 PDPK1 (0.43) PDPK1CCNB2CCNE2CDK1CDK4
SCHEMBL19274841 0.75 PDPK1 (0.43) PDPK1CCNB2CCNE2CDK1CDK4
SCHEMBL3870395 0.75 FPR3 (0.48) PDPK1GFERFPR3FPR2GLS
SCHEMBL19274418 0.75 PDPK1 (0.47) PDPK1GFERFPR3FPR2GLS
SCHEMBL19274589 0.75 PDPK1 (0.41) PDPK1CCNB2CCNE2CDK1CDK4
SCHEMBL29971063 0.75 PDPK1 (0.41) PDPK1CCNB2CCNE2CDK1CDK4

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 9 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
CN-109311839-B Methylamine derivatives as lysyl oxidase inhibitors for the treatment of cancer 癌症研究协会皇家癌症医院 2021-11-02 — — CN disclosed
US-10995088-B2 Methylamine derivatives as lysysl oxidase inhibitors for the treatment of cancer THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2021-05-04 — — US disclosed
US-20210040078-A1 Methylamine Derivatives as Lysysl Oxidase Inhibitors for the Treatment of Cancer THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2021-02-11 — — US disclosed
US-10807974-B2 Methylamine derivatives as lysysl oxidase inhibitors for the treatment of cancer THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2020-10-20 — — US disclosed
US-20190152966-A1 Methylamine Derivatives as Lysysl Oxidase Inhibitors for the Treatment of Cancer THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2019-05-23 — — US disclosed
CN-109311839-A Methylamine derivative is used for treating cancer as lysyl oxidase inhibitor 癌症研究协会皇家癌症医院 2019-02-05 — — CN disclosed
WO-2017141049-A1 METHYLAMINE DERIVATIVES AS LYSYSL OXIDASE INHIBITORS FOR THE TREATMENT OF CANCER THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2017-08-24 — — 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 (6 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-20190152966-A1 Methylamine Derivatives as Lysysl Oxidase Inhibitors for the Treatment of Cancer LOXL1, LOXL3, LOXL2 PDPK1 4487/4885EPHX1 127/4885GFER 1496/4885
US-20210040078-A1 Methylamine Derivatives as Lysysl Oxidase Inhibitors for the Treatment of Cancer LOXL1, LOXL3, LOXL2 PDPK1 4487/4885EPHX1 127/4885GFER 1496/4885
US-20220372028-A1 Methylamine Derivatives as Lysysl Oxidase Inhibitors for the Treatment of Cancer LOXL1, LOXL3, LOXL2 PDPK1 4487/4885EPHX1 127/4885GFER 1496/4885
US-10995088-B2 Methylamine derivatives as lysysl oxidase inhibitors for the treatment of cancer LOXL1, LOXL3, LOXL2 PDPK1 4487/4885EPHX1 127/4885GFER 1496/4885
US-10807974-B2 Methylamine derivatives as lysysl oxidase inhibitors for the treatment of cancer LOXL1, LOXL3, LOXL2 PDPK1 4487/4885EPHX1 127/4885GFER 1496/4885
US-11608330-B2 Methylamine derivatives as lysysl oxidase inhibitors for the treatment of cancer LOXL1, LOXL3, LOXL2 PDPK1 4487/4885EPHX1 127/4885GFER 1496/4885

“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.

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