SCHEMBL700367

SCHEMBL700367

O=S(=O)(Cl)c1cc(Br)cc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.45
ACP1 P24666 1/20 0.42
CNR1 P21554 1/20 0.41
DDR1 Q08345 2/20 0.37
CES2 O00748 1/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA5A P35218 2/20 0.36
CA9 Q16790 2/20 0.36
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TMPRSS4 Q9NRS4 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
SCHEMBL67742 0.86 CES2 (0.48) ACP1CNR1CES2CA1CA2
SCHEMBL11292063 0.81 ACP1 (0.49) NOTUMACP1CNR1DDR1CES2
SCHEMBL4807857 0.81 KIF11 (0.47) NOTUMACP1CNR1CA1CA2
SCHEMBL30253146 0.81 NOTUM (0.49) NOTUMACP1CNR1DDR1CES2
SCHEMBL12098234 0.81 NOTUM (0.49) NOTUMACP1CNR1DDR1CES2
SCHEMBL13268747 0.81 HSD11B1 (0.35) NOTUMPOLBNPSR1KMT2A
SCHEMBL13277682 0.79 NOTUM (0.44) NOTUMACP1CNR1DDR1CES2
SCHEMBL13277683 0.79 ACP1 (0.48) NOTUMACP1CNR1DDR1CES2
SCHEMBL11048238 0.79 ALDH1A1 (0.42) CA1CA2CA9MMP1MMP2
SCHEMBL197622 0.79 ALDH1A1 (0.42) ACP1CA1CA2CA9MMP1

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 102 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115108897-B Preparation method of 4-ethoxy-1, 1-trifluoro-3-butene-2-ketone and derivative thereof 帕潘纳(北京)科技有限公司 2024-06-07 CN disclosed
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-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-115108897-A Preparation method of 4-ethoxy-1, 1, 1-trifluoro-3-butene-2-one and derivatives thereof 帕潘纳(北京)科技有限公司 2022-09-27 CN disclosed
US-11236055-B2 Non-systemic TGR5 agonists Venenum Biodesign, LLC (US) 2022-02-01 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-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-20080090813-A1 4-Phenyl-Pyrimidine-2-Carbonitrile Derivatives Cai, Jiaqiang 2008-04-17 US disclosed
CN-101146770-A 2-phenyl indoles as prostaglandin D2 receptor antagonists AVENTIS PHARMA INC (US) 2008-03-19 CN disclosed
WO-2008024284-A2 SULFONYLATED PIPERAZINES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-02-28 WO disclosed
US-20070265278-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 US disclosed
WO-2007118899-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2007-10-25 WO disclosed
EP-1844011-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS Aventis Pharmaceuticals Inc. (US) 2007-10-17 EP disclosed
CN-1980897-A 4-phenyl-pyrimidine-2-carbonitrile derivatives ORGANON NV (NL) 2007-06-13 CN disclosed
EP-1758870-A1 4-PHENYL-PYRIMIDINE-2-CARBONITRILE DERIVATIVES N.V. Organon (NL) 2007-03-07 EP disclosed
WO-2006081343-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2006-08-03 WO disclosed
WO-2005121106-A1 4-PHENYL-PYRIMIDINE-2-CARBONITRILE DERIVATIVES N.V. ORGANON (NL) 2005-12-22 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 (7 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-20210040078-A1 Methylamine Derivatives as Lysysl Oxidase Inhibitors for the Treatment of Cancer LOXL1, LOXL3, LOXL2 NOTUM 2505/4885ACP1 1005/4885CNR1 1362/4885
US-20070265278-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS PTGDR2, PTGDR, CYSLTR2 NOTUM 2831/4885ACP1 4518/4885CNR1 67/4885
US-20220372028-A1 Methylamine Derivatives as Lysysl Oxidase Inhibitors for the Treatment of Cancer LOXL1, LOXL3, LOXL2 NOTUM 2505/4885ACP1 1005/4885CNR1 1362/4885
US-11236055-B2 Non-systemic TGR5 agonists SSTR5, GPR119, FFAR3 NOTUM 183/4885ACP1 3435/4885CNR1 62/4885
US-10995088-B2 Methylamine derivatives as lysysl oxidase inhibitors for the treatment of cancer LOXL1, LOXL3, LOXL2 NOTUM 2505/4885ACP1 1005/4885CNR1 1362/4885
US-20080090813-A1 4-Phenyl-Pyrimidine-2-Carbonitrile Derivatives P2RY4, P2RX4, P2RY1 NOTUM 4339/4885ACP1 1047/4885CNR1 51/4885
US-11608330-B2 Methylamine derivatives as lysysl oxidase inhibitors for the treatment of cancer LOXL1, LOXL3, LOXL2 NOTUM 2505/4885ACP1 1005/4885CNR1 1362/4885

“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.