SCHEMBL1041533

SCHEMBL1041533

CCOC(=O)C(C(=O)OCC)c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP8 P22894 1/20 0.51
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ TSHR P16473 2/20 0.47
▸ ABCB11 O95342 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ PMP22 Q01453 1/20 0.47
▸ PPARA Q07869 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ LMNA P02545 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ BRD4 O60885 1/20 0.44

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
SCHEMBL17466104 0.91 BRD4 (0.49) MMP8CA12CA1CA2CA9
SCHEMBL4064086 0.91 MMP8 (0.51) MMP8CA12CA1CA2CA9
SCHEMBL271585 0.90 MMP8 (0.59) MMP8CA12CA1CA2CA9
SCHEMBL10727958 0.89 CYP3A4 (0.47) MMP8CA12CA1CA2CA9
SCHEMBL9052677 0.86 MMP8 (0.53) MMP8SMN1; SMN2TSHRALDH1A1TDP1
SCHEMBL16068663 0.85 ABCB11 (0.43) MMP8CA12CA1CA2CA9
SCHEMBL1626467 0.85 CA12 (0.49) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL6444091 0.84 PPARA (0.46) MMP8CA12CA1CA2CA9
SCHEMBL7090828 0.84 L3MBTL1 (0.52) MMP8CA12CA1CA2CA9
SCHEMBL7093633 0.84 MMP8 (0.52) MMP8CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10364208-B2 Oxidative coupling of aryl boron reagents with SP3-carbon nucleophiles, and ambient decarboxylative arylation of malonate half-esters via oxidative catalysis THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2019-07-30 — — US disclosed
US-20180186721-A1 OXIDATIVE COUPLING OF ARYL BORON REAGENTS WITH SP3-CARBON NUCLEOPHILES, AND AMBIENT DECARBOXYLATIVE ARYLATION OF MALONATE HALF-ESTERS VIA OXIDATIVE CATALYSIS THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2018-07-05 — — US disclosed
US-20180186721-A1 OXIDATIVE COUPLING OF ARYL BORON REAGENTS WITH SP3-CARBON NUCLEOPHILES, AND AMBIENT DECARBOXYLATIVE ARYLATION OF MALONATE HALF-ESTERS VIA OXIDATIVE CATALYSIS THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2018-07-05 — — US disclosed
EP-3121176-A1 2,4-DIAMINOQUINAZOLINES FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY Families of Spinal Muscular Atrophy (US) 2017-01-25 — — EP disclosed
EP-2275395-B1 Copper-catalyzed formation of carbon-carbon bonds MASSACHUSETTS INST TECHNOLOGY (US) 2016-11-09 — — EP disclosed
EP-1765810-B1 2,4-DIAMINOQUINAZOLINES FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2016-08-17 — — EP disclosed
EP-2514748-B1 2,4-diaminoquinazolines for spinal muscular atrophy FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2016-08-10 — — EP disclosed
US-20160152577-A1 2,4-Diaminoquinazolines for Spinal Muscular Atrophy FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2016-06-02 — — US disclosed
US-9067955-B2 Copper-catalyzed formation of carbon-heteroatom and carbon—carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-06-30 — — US disclosed
US-9067897-B2 2,4-Diaminoquinazolines for spinal muscular atrophy FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2015-06-30 — — US disclosed
US-5777152-A Process for preparing 2-aryl-2-chloromalonic diesters HUELS AKTIENGESELLSCHAFT (DE) 1998-07-07 — — US disclosed
EP-0510526-B1 Use of sulfonamides as drug and new sulfonamides HOFFMANN LA ROCHE (CH) 1996-12-04 — — EP disclosed
EP-0732321-A1 Process for the preparation of diesters of 2-aryl-2-chloromalonic acid HÜLS AKTIENGESELLSCHAFT (DE) 1996-09-18 — — EP disclosed
US-5270313-A Treatment of circulatory disorders HOFFMANN-LA ROCHE INC. (US) 1993-12-14 — — US disclosed
EP-0510526-A1 Use of sulfonamides as drug and new sulfonamides F.HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) 1992-10-28 — — EP disclosed
EP-0050671-B1 THIAZOLO(3,2-A)PYRIMIDINE DERIVATIVES, PROCESS FOR PREPARING SAME, AND DRUG CONTAINING SAME TEIJIN LIMITED (JP) 1985-03-20 — — EP disclosed
US-4383996-A IMMUNOREGULATOR TEIJIN LIMITED (JP) 1983-05-17 — — US disclosed
EP-0050671-A1 THIAZOLO(3,2-a)PYRIMIDINE DERIVATIVES, PROCESS FOR PREPARING SAME, AND DRUG CONTAINING SAME TEIJIN LIMITED (JP) 1982-05-05 — — EP disclosed
US-4109015-A PROSTAGLANDINS, LUTEOLYTIC IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-08-22 — — US disclosed
US-3984411-A HYPOCHOLESTEROLEMICS, HYPOGLYCEMICS OR ANTIDIABETICS SOCIETE GENERALE DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES "SOGERAS" (FR) 1976-10-05 — — 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 (3 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-20160152577-A1 2,4-Diaminoquinazolines for Spinal Muscular Atrophy SMN1; SMN2, MUSK, MYO3B MMP8 3993/4885CA12 4700/4885CA1 4660/4885
US-10364208-B2 Oxidative coupling of aryl boron reagents with SP3-carbon nucleophiles, and ambient decarboxylative arylation of malonate half-esters via oxidative catalysis SOD1, AOC3, CBR3 MMP8 4481/4885CA12 2835/4885CA1 4239/4885
US-20180186721-A1 OXIDATIVE COUPLING OF ARYL BORON REAGENTS WITH SP3-CARBON NUCLEOPHILES, AND AMBIENT DECARBOXYLATIVE ARYLATION OF MALONATE HALF-ESTERS VIA OXIDATIVE CATALYSIS SOD1, AOC3, CBR3 MMP8 4481/4885CA12 2835/4885CA1 4239/4885

“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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