SCHEMBL11609

SCHEMBL11609

COc1ccc(CN(C)S(C)(=O)=O)cc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.71
ACLY P53396 1/20 0.56
HTT P42858 2/20 0.50
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PYCR1 P32322 1/20 0.49
TAS2R14 Q9NYV8 3/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ACHE P22303 1/20 0.46
AOC3 Q16853 1/20 0.44
IDO1 P14902 1/20 0.44
PKM P14618 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA5A P35218 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 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
SCHEMBL17453055 0.86 APLNR (0.62) APLNRACLYHTTALDH1A1SMN1; SMN2
SCHEMBL18662141 0.84 APLNR (0.59) APLNRACLYHTTALDH1A1SMN1; SMN2
SCHEMBL15094002 0.84 APLNR (0.59) APLNRACLYHTTALDH1A1SMN1; SMN2
SCHEMBL24461223 0.84 APLNR (0.59) APLNRACLYHTTALDH1A1SMN1; SMN2
SCHEMBL14546179 0.83 APLNR (1.00) APLNRHTTALDH1A1SMN1; SMN2TAS2R14
SCHEMBL17453052 0.83 APLNR (0.58) APLNRACLYHTTALDH1A1SMN1; SMN2
SCHEMBL21964400 0.81 APLNR (0.47) APLNRACLYALDH1A1TAS2R14KMT2A
SCHEMBL13193241 0.81 APLNR (0.56) APLNRACLYHTTALDH1A1SMN1; SMN2
SCHEMBL27222358 0.81 APLNR (0.77) APLNRACLYHTTALDH1A1SMN1; SMN2
SCHEMBL18662058 0.81 APLNR (0.56) APLNRACLYHTTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365533-A1 BICYCLOHEPTANE PYRROLIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2023-11-16 US disclosed
US-11680060-B2 Bicycloheptane pyrrolidine orexin receptor agonists MERCK SHARP & DOHME LLC (US) 2023-06-20 US disclosed
US-20220306623-A1 PYRIDYL OR PYRIMIDYL MTOR KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-09-29 US disclosed
CN-110467611-B Iminothiadiazine dioxide derivatives and their use 广东东阳光药业有限公司 2022-09-27 CN disclosed
CN-110938083-B Compounds as BACE1 inhibitors and uses thereof 南京圣和药业股份有限公司 2022-06-07 CN disclosed
CN-109180669-B Iminothiadiazine dioxide derivatives and their use 广东东阳光药业有限公司 2022-05-27 CN disclosed
EP-3983409-A1 PYRIDYL OR PYRIMIDYL MTOR KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2022-04-20 EP disclosed
CN-114008044-A Pyridyl or pyrimidinyl MTOR kinase inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2022-02-01 CN disclosed
EP-3413895-B1 C5-C6-OXACYLIC FUSED IMINOTHIADIAZINE DIOXIDE COMPOUNDS BEARING AN ETHER LINKER AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME (US) 2021-07-21 EP disclosed
EP-3419975-B1 IMINOTHIADIAZINANE DIOXIDE DERIVATIVES AS PLASMEPSIN V INHIBITORS UCB Biopharma SRL (BE) 2021-06-23 EP disclosed
US-20120189642-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE SCHERING CORPORATION (US) 2012-07-26 US disclosed
US-20120189642-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE SCHERING CORPORATION (US) 2012-07-26 US disclosed
US-20120183563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME LLC 2012-07-19 US disclosed
US-20120183563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME LLC 2012-07-19 US disclosed
WO-2011044181-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE SCHERING CORPORATION (US) 2011-04-14 WO disclosed
WO-2011044187-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE SCHERING CORPORATION (US) 2011-04-14 WO disclosed
WO-2011044187-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE SCHERING CORPORATION (US) 2011-04-14 WO disclosed
US-20110070193-A1 Anti-Infective Agents and Uses Thereof ABBOTT LABORATORIES (US) 2011-03-24 US disclosed
US-20110070193-A1 Anti-Infective Agents and Uses Thereof ABBOTT LABORATORIES (US) 2011-03-24 US disclosed
WO-2009039127-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C ABBOTT LABORATORIES (US) 2009-03-26 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 (6 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-20110070193-A1 Anti-Infective Agents and Uses Thereof MPO, SERPINB1, ELANE APLNR 4664/4885ACLY 543/4885HTT 2826/4885
US-20230365533-A1 BICYCLOHEPTANE PYRROLIDINE OREXIN RECEPTOR AGONISTS HCRTR1, HCRTR2, CRHR1 APLNR 110/4885ACLY 3293/4885HTT 155/4885
US-11680060-B2 Bicycloheptane pyrrolidine orexin receptor agonists HCRTR1, HCRTR2, CRHR1 APLNR 110/4885ACLY 3499/4885HTT 111/4885
US-20120183563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE BACE1, BACE2, APP APLNR 2787/4885ACLY 3527/4885HTT 531/4885
US-20120189642-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, APP, BACE2 APLNR 4042/4885ACLY 3438/4885HTT 295/4885
US-20220306623-A1 PYRIDYL OR PYRIMIDYL MTOR KINASE INHIBITORS MTOR, RICTOR, RPTOR APLNR 4424/4885ACLY 1848/4885HTT 3471/4885

“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.