SCHEMBL19259872

SCHEMBL19259872

CCCCC(CC)COC(=O)CCSc1cc(Br)cc(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.51
TSHR P16473 3/20 0.51
TDP1 Q9NUW8 3/20 0.51
ATM Q13315 1/20 0.51
ALDH1A1 P00352 6/20 0.42
MAPK1 P28482 3/20 0.42
CA2 P00918 2/20 0.41
LMNA P02545 4/20 0.40
HSD17B10 Q99714 1/20 0.40
RECQL P46063 1/20 0.40
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
PLA2G2A P14555 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP14 P50281 1/20 0.34
CYSLTR2 Q9NS75 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32

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
SCHEMBL19274357 0.90 CYP3A4 (0.49) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL19259743 0.89 CYP3A4 (0.48) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL19259890 0.88 CYP3A4 (0.50) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL19259657 0.88 CYP3A4 (0.52) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL19259868 0.87 CYP3A4 (0.51) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL19259833 0.87 CYP3A4 (0.51) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL19259570 0.87 CYP3A4 (0.51) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL20983541 0.87 CYP3A4 (0.46) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL29971113 0.87 CYP3A4 (0.46) CYP3A4TSHRTDP1ATMALDH1A1
SCHEMBL19259894 0.87 CYP3A4 (0.48) CYP3A4TSHRTDP1ATMALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3416956-B1 METHYLAMINE DERIVATIVES AS LYSYL OXIDASE INHIBITORS FOR THE TREATMENT OF CANCER THE INSTITUTE OF CANCER RES ROYAL CANCER HOSPITAL (GB) 2024-04-10 EP disclosed
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-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
EP-3416956-A1 METHYLAMINE DERIVATIVES AS LYSYSL OXIDASE INHIBITORS FOR THE TREATMENT OF CANCER The Institute of Cancer Research : The Royal Cancer Hospital (GB) 2018-12-26 EP 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 (5 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 CYP3A4 2190/4885TSHR 2329/4885TDP1 2098/4885
US-20210040078-A1 Methylamine Derivatives as Lysysl Oxidase Inhibitors for the Treatment of Cancer LOXL1, LOXL3, LOXL2 CYP3A4 2190/4885TSHR 2329/4885TDP1 2098/4885
US-10995088-B2 Methylamine derivatives as lysysl oxidase inhibitors for the treatment of cancer LOXL1, LOXL3, LOXL2 CYP3A4 2190/4885TSHR 2329/4885TDP1 2098/4885
US-10807974-B2 Methylamine derivatives as lysysl oxidase inhibitors for the treatment of cancer LOXL1, LOXL3, LOXL2 CYP3A4 2190/4885TSHR 2329/4885TDP1 2098/4885
US-11608330-B2 Methylamine derivatives as lysysl oxidase inhibitors for the treatment of cancer LOXL1, LOXL3, LOXL2 CYP3A4 2190/4885TSHR 2329/4885TDP1 2098/4885

“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.