SCHEMBL999787

SCHEMBL999787

CCOC(=O)C(C(=O)O)c1ccc(Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP8 P22894 2/20 0.55
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ S1PR4 O95977 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ S1PR1 P21453 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ NPC1 O15118 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ LDHA P00338 1/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ PIN1 Q13526 1/20 0.40
▸ SRC P12931 1/20 0.39

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
SCHEMBL536847 0.91 MMP8 (0.56) MMP8KMT2AMEN1MAPTS1PR4
Ether SCHEMBL28330463 0.86 MMP8 (0.51) MMP8KMT2AMEN1MAPTS1PR4
SCHEMBL12740250 0.86 MMP8 (0.51) MMP8KMT2AMEN1MAPTS1PR4
SCHEMBL25376687 0.86 CYP1A2 (0.52) MMP8KMT2ALMNACYP1A2LDHA
SCHEMBL1275691 0.84 MMP8 (0.70) MMP8KMT2AMEN1NPC1GAA
SCHEMBL4064086 0.83 MMP8 (0.51) MMP8KMT2AMEN1MAPTLMNA
SCHEMBL5766034 0.83 MMP8 (0.51) MMP8KMT2AMEN1LMNAMAPK1
SCHEMBL8475858 0.83 LMNA (0.51) MMP8KMT2AMEN1MAPTLMNA
Hydrochloric Acid SCHEMBL10677191 0.82 MMP8 (0.68) MMP8KMT2AMEN1NPC1GAA
Methane SCHEMBL28306525 0.82 MMP8 (0.68) MMP8KMT2AMEN1NPC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109232575-B Pyrrole [1,2-b ] pyridazine compound or pharmaceutically acceptable salt thereof and application thereof 中国科学院上海药物研究所 2022-01-25 — — CN disclosed
US-10669264-B2 Process for the preparation of macitentan LAURUS LABS LIMITED (IN) 2020-06-02 — — US disclosed
US-20180370954-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF MACITENTAN Laurus Labs Ltd. (IN) 2018-12-27 — — US disclosed
WO-2017093903-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF MACITENTAN LAURUS LABS PRIVATE LIMITED (IN) 2017-06-08 — — WO disclosed
US-8324232-B2 4-pyrimidinesulfamide derivative ACTELION PHARMACEUTICALS LTD. (CH) 2012-12-04 — — US disclosed
EP-2190837-B1 4-PYRIMIDINESULFAMIDE DERIVATIVE ACTELION PHARMACEUTICALS LTD (CH) 2012-08-15 — — EP disclosed
US-20120142716-A1 4-PYRIMIDINESULFAMIDE DERIVATIVE IDORSIA PHARMACEUTICALS LTD (CH) 2012-06-07 — — US disclosed
EP-1833821-B1 SULFAMIDES AS ENDOTHELIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2011-03-30 — — EP disclosed
US-7868012-B2 Sulfamides as endothelin receptor antagonists for the treatment of cardiovascular diseases ACTELION PHARMACEUTICALS, LTD. (CH) 2011-01-11 — — US disclosed
EP-2190837-A1 4-PYRIMIDINESULFAMIDE DERIVATIVE Actelion Pharmaceuticals Ltd. (CH) 2010-06-02 — — EP disclosed
WO-2009024906-A1 4-PYRIMIDINESULFAMIDE DERIVATIVE ACTELION PHARMACEUTICALS LTD (CH) 2009-02-26 — — WO disclosed
EP-1569914-B1 PYRIMIDINE-SULFAMIDES AND THEIR USE AS ENDOTHELIAN RECEPTOR ANTAGONIST ACTELION PHARMACEUTICALS LTD (CH) 2009-02-18 — — EP disclosed
US-7452896-B2 Pyrimidine-sulfamides and their use as endothelian receptor antagonist ACTELION PHARMACEUTICALS LTD. (CH) 2008-11-18 — — US disclosed
US-20080004298-A1 Sulfamides as Endothelin Receptor Antagonists for the Treatment of Cardiovascular Diseases ACTELION PHARMACEUTICALS LTD. (CH) 2008-01-03 — — US disclosed
EP-1833821-A2 SULFAMIDES AS ENDOTHELIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES Actelion Pharmaceuticals Ltd. (CH) 2007-09-19 — — EP disclosed
US-20070167472-A1 2-Methoxy-ethanesulfamic acid [6-[2-(5-bromo-pyrimidin-2-yloxy)-ethoxy]-5-(2-chloro-5-methoxy-phenoxy)-pyrimidin-4-yl]-amide; vasoconstrictor, mediator of cardiac, renal, endocrine functions; neurotransmitter release, activation of inflammatory cells, fibrosis, cell proliferation and differentiation ACTELION PHARMACEUTICALS LTD. (CH) 2007-07-19 — — US disclosed
WO-2006051502-A2 SULFAMIDES AS ENDOTHELIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2006-05-18 — — WO disclosed
EP-1569914-A1 PYRIMIDINE-SULFAMIDES AND THEIR USE AS ENDOTHELIAN RECEPTOR ANTAGONIST Actelion Pharmaceuticals Ltd. (CH) 2005-09-07 — — EP disclosed
WO-2004050640-A1 PYRIMIDINE-SULFAMIDES AND THEIR USE AS ENDOTHELIAN RECEPTOR ANTAGONIST ACTELION PHARMACEUTICALS LTD (CH) 2004-06-17 — — WO disclosed
US-5571449-A LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-11-05 — — 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 (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-20120142716-A1 4-PYRIMIDINESULFAMIDE DERIVATIVE EDNRB, EDNRA, TBXA2R MMP8 4285/4885KMT2A 2186/4885MEN1 2127/4885
US-10669264-B2 Process for the preparation of macitentan MACO1, MLEC, MPST MMP8 1184/4885KMT2A 2330/4885MEN1 40/4885
US-20080004298-A1 Sulfamides as Endothelin Receptor Antagonists for the Treatment of Cardiovascular Diseases EDNRA, EDNRB, ECE1 MMP8 3554/4885KMT2A 1382/4885MEN1 3596/4885
US-20180370954-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF MACITENTAN MACO1, MLEC, MPST MMP8 1141/4885KMT2A 2039/4885MEN1 41/4885
US-20070167472-A1 2-Methoxy-ethanesulfamic acid [6-[2-(5-bromo-pyrimidin-2-yloxy)-ethoxy]-5-(2-chloro-5-methoxy-phenoxy)-pyrimidin-4-yl]-amide; vasoconstrictor, mediator of cardiac, renal, endocrine functions; neurotransmitter release, activation of inflammatory cells, fibrosis, cell proliferation and differentiation EDNRA, EDNRB, AGTR2 MMP8 1399/4885KMT2A 2938/4885MEN1 3515/4885

“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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