SCHEMBL13125

SCHEMBL13125

O=C(O)CCSc1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
MAPT P10636 4/20 0.48
GAA P10253 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
RAB9A P51151 2/20 0.48
MAPK1 P28482 2/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 3/20 0.46
HSD17B10 Q99714 2/20 0.46
CYP2C19 P33261 1/20 0.46
FGB P02675 1/20 0.46
MAP2K7 O14733 2/20 0.45
CDC25A P30304 2/20 0.45
CDC25B P30305 2/20 0.45
PRNP P04156 2/20 0.45
MAPK10 P53779 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45

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
SCHEMBL29846351 1.00 ALDH1A1 (0.49) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL4267829 0.89 ALDH1A1 (0.61) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL4273503 0.88 PTGS2 (0.57) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL4273902 0.86 PTGS2 (0.59) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL4269742 0.86 PTGS2 (0.59) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL8470547 0.86 TSHR (0.43) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL23977091 0.83 KDM4E (0.41) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL11495454 0.83 CYP1A2 (0.42) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL1157659 0.81 CYP1A2 (0.61) ALDH1A1GAAMEN1KMT2ARAB9A
SCHEMBL29812491 0.81 CYP1A2 (0.61) ALDH1A1GAAMEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111574475-B Preparation method of halogenated benzothiepin oxide, product prepared by preparation method and application of product 西安都创医药科技有限公司 2022-09-20 CN claimed
CN-111574475-A Preparation method of halogenated benzothiepin oxide, product prepared by preparation method and application of product 西安都创医药科技有限公司 2020-08-25 CN claimed
EP-2046736-B1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2019-06-12 EP claimed
EP-2046736-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS Emisphere Technologies, Inc. (US) 2009-04-15 EP claimed
WO-2008014430-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2008-01-31 WO claimed
CN-111574475-B Preparation method of halogenated benzothiepin oxide, product prepared by preparation method and application of product 西安都创医药科技有限公司 2022-09-20 CN disclosed
CN-111574475-A Preparation method of halogenated benzothiepin oxide, product prepared by preparation method and application of product 西安都创医药科技有限公司 2020-08-25 CN disclosed
CN-108640901-B Thiochroman-4-ketone thiosemicarbazone compound and preparation method and application thereof 岭南师范学院 2020-04-28 CN disclosed
EP-2046736-B1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2019-06-12 EP disclosed
EP-2046736-B1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2019-06-12 EP disclosed
US-20180334430-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS NOVO NORDISK NORTH AMERICA OPERATIONS A/S (DK) 2018-11-22 US disclosed
CN-108640901-A A kind of thio chroman-4-on class thiosemicarbazones compound and its preparation method and application 岭南师范学院 2018-10-12 CN disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 US disclosed
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 WO disclosed
US-20090258817-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS NOVO NORDISK A/S (DK) 2009-10-15 US disclosed
US-20090258817-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS NOVO NORDISK A/S (DK) 2009-10-15 US disclosed
US-20090258817-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS NOVO NORDISK A/S (DK) 2009-10-15 US disclosed
EP-2046736-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS Emisphere Technologies, Inc. (US) 2009-04-15 EP disclosed
WO-2008014430-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2008-01-31 WO disclosed
WO-2008014430-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2008-01-31 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 (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-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES PI4KB, MTOR, PI4KA ALDH1A1 3185/4885MAPT 965/4885GAA 3868/4885
US-20090258817-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS ABCB7, ABCB4, PAICS ALDH1A1 1627/4885MAPT 3043/4885GAA 104/4885
US-20180334430-A1 ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS ABCB7, ABCB4, PAICS ALDH1A1 1627/4885MAPT 3043/4885GAA 104/4885

“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.