SCHEMBL1082207

SCHEMBL1082207

C#CCN(CC#C)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.69
MAPT P10636 1/20 0.47
MCOLN3 Q8TDD5 1/20 0.47
CNR2 P34972 8/20 0.46
C5AR1 P21730 1/20 0.44
PYCR1 P32322 1/20 0.44
AGER Q15109 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
TAS2R14 Q9NYV8 1/20 0.43
CNR1 P21554 1/20 0.43
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42

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
SCHEMBL6776106 0.89 GLA (0.56) GLAMAPTMCOLN3CNR2C5AR1
SCHEMBL21753821 0.87 GLA (0.54) GLAMAPTMCOLN3CNR2C5AR1
SCHEMBL4280108 0.86 KEAP1 (0.56) GLACNR2TAS2R14KEAP1NFE2L2
SCHEMBL15779581 0.85 GLA (0.51) GLAMAPTMCOLN3CNR2C5AR1
SCHEMBL21595413 0.85 GLA (0.51) GLAMAPTMCOLN3CNR2CA12
SCHEMBL29597888 0.84 GLA (0.53) GLAMAPTMCOLN3C5AR1PYCR1
SCHEMBL12330055 0.83 GLA (0.50) GLAMAPTMCOLN3CNR2C5AR1
SCHEMBL19929699 0.83 GLA (0.50) GLAMAPTCNR2AGERLMNA
SCHEMBL28416450 0.82 GLA (0.52) GLAMAPTMCOLN3CNR2C5AR1
SCHEMBL30667705 0.82 GLA (0.49) GLAMAPTMCOLN3CNR2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119798978-A Toughened polyamide material with high melt strength and preparation method and application thereof 万华化学集团股份有限公司 2025-04-11 CN claimed
CN-119704786-A Nylon pipeline and preparation method and application thereof 万华化学集团股份有限公司 2025-03-28 CN claimed
CN-116410586-A Precipitation-resistant high-toughness polyamide composition and preparation method thereof 万华化学(宁波)有限公司 2023-07-11 CN claimed
EP-4651955-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2025-11-26 EP disclosed
CN-119798978-A Toughened polyamide material with high melt strength and preparation method and application thereof 万华化学集团股份有限公司 2025-04-11 CN disclosed
CN-119704786-A Nylon pipeline and preparation method and application thereof 万华化学集团股份有限公司 2025-03-28 CN disclosed
WO-2024153947-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2024-07-25 WO disclosed
CN-116410586-A Precipitation-resistant high-toughness polyamide composition and preparation method thereof 万华化学(宁波)有限公司 2023-07-11 CN disclosed
EP-3055301-B1 (2-(5-ISOINDOLIN-2-YL)PYRIMIDIN-4-YL)-AMINE DERIVATIVES AS RHO KINASE INHIBITORS FOR TREATING AUTOIMMUNE DISEASES KADMON CORP LLC (US) 2019-11-20 EP disclosed
US-10287225-B2 Chain multiyne compound, preparation method and application thereof XIAMEN UNIVERSITY (CN) 2019-05-14 US disclosed
CN-106279100-B Chain-shaped polyacetylene compound and preparation method and application thereof 厦门大学 2019-03-08 CN disclosed
EP-2274316-B1 LIGANDS OF ESTROGEN RECEPTORS AND , METHOD OF THEIR PREPARATION AND PHARMACEUTICALS COMPRISING THEM USTAV MOLEKULARNI GENETIKY AV CR V V I (CZ) 2013-02-13 EP disclosed
US-8334280-B2 Ligands of estrogen receptors α and β, method of their preparation, and pharmaceuticals comprising them Ustav Molekularni Genetikv AV CR, V.V.I. (CZ) 2012-12-18 US disclosed
US-8334280-B2 Ligands of estrogen receptors α and β, method of their preparation, and pharmaceuticals comprising them Ustav Molekularni Genetikv AV CR, V.V.I. (CZ) 2012-12-18 US disclosed
US-20110118225-A1 Ligands of Estrogen Receptors alpha and beta, Method of Their Preparation, and Pharmaceuticals Comprising Them UNIVERZITA KARLOVA V PRAZE, PRIRODOVEDECKA FAKULTA UK (CZ) 2011-05-19 US disclosed
US-20110118225-A1 Ligands of Estrogen Receptors alpha and beta, Method of Their Preparation, and Pharmaceuticals Comprising Them UNIVERZITA KARLOVA V PRAZE, PRIRODOVEDECKA FAKULTA UK (CZ) 2011-05-19 US disclosed
EP-2274316-A1 LIGANDS OF ESTROGEN RECEPTORS AND , METHOD OF THEIR PREPARATION AND PHARMACEUTICALS COMPRISING THEM Ustav Molekularni Genetiky Av Cr, V.v.i. (CZ) 2011-01-19 EP disclosed
US-7750034-B2 Aminocyclohexanes as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2010-07-06 US disclosed
WO-2009135449-A1 LIGANDS OF ESTROGEN RECEPTORS α AND β, METHOD OF THEIR PREPARATION AND PHARMACEUTICALS COMPRISING THEM USTAV MOLEKULARNI GENETIKY AV CR, V.V.I. (CZ) 2009-11-12 WO disclosed
US-20090270467-A1 Aminocyclohexanes as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK & CO., INC. (US) 2009-10-29 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-20090270467-A1 Aminocyclohexanes as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 GLA 1158/4885MAPT 4179/4885MCOLN3 2049/4885
US-20110118225-A1 Ligands of Estrogen Receptors alpha and beta, Method of Their Preparation, and Pharmaceuticals Comprising Them ESR2, GPER1, ESRRB GLA 1107/4885MAPT 3802/4885MCOLN3 1858/4885
US-10287225-B2 Chain multiyne compound, preparation method and application thereof SQLE, COASY, MCCC2 GLA 4187/4885MAPT 4110/4885MCOLN3 870/4885

“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.