SCHEMBL109704

SCHEMBL109704

COC(=O)C(O)SC(O)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
CA14 Q9ULX7 2/20 0.37
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MEN1 O00255 1/20 0.32
ZDHHC7 Q9NXF8 1/20 0.31
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL633576 0.90 SMN1; SMN2 (0.37) SMN1; SMN2CA14ALDH1A1KMT2ACA12
SCHEMBL27566530 0.80
Hydrochloric Acid SCHEMBL1323084 0.75 SMN1; SMN2 (0.48) SMN1; SMN2CA14ALDH1A1KMT2ACA12
Hydrochloric Acid SCHEMBL10571289 0.73
Hydrochloric Acid SCHEMBL655143 0.73 SMN1; SMN2 (0.46) SMN1; SMN2CA14ALDH1A1KMT2ACA12
Hydrochloric Acid SCHEMBL3331961 0.73
Hydrochloric Acid SCHEMBL2652402 0.73
SCHEMBL10925528 0.72 TSHR (0.43) CA14CA12CA1CA2HCAR2
SCHEMBL109870 0.72 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1HCAR2TSHR
SCHEMBL590894 0.71 SMN1; SMN2 (0.50) SMN1; SMN2CA14ALDH1A1KMT2ACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117486855-A Process for preparing 2, 5-thiophenedicarboxylic acid 三门峡奥科科技有限公司 2024-02-02 CN claimed
CN-109481430-A Thiodiglycolic acid dimethyl ester is in the application for preparing antithrombotic and neurodegenerative drugs 北京北朋科技有限公司 2019-03-19 CN claimed
CN-108976542-A Drinking water packaging bottle and preparation method thereof 苏州华新达饮品技术有限公司 2018-12-11 CN claimed
CN-108794916-A A kind of antibiotic plastic 淄博齐鼎立专利信息咨询有限公司 2018-11-13 CN claimed
CN-108359189-A A kind of antibiotic plastic 淄博齐鼎立专利信息咨询有限公司 2018-08-03 CN claimed
CN-105949643-A Antibacterial plastic 淄博夸克医药技术有限公司 2016-09-21 CN claimed
CN-102675605-B Soluble poly-6,9-phenanthrene thiophthene and preparation method and application thereof UNIV SOUTH CHINA TECH 2013-10-30 CN claimed
CN-102617834-B Soluble poly-5,10-phenanthrene thiophene and preparing method and application thereof UNIV SOUTH CHINA TECH 2013-09-25 CN claimed
CN-102802605-A Stable lipid formulations of apoptosis promoters ABBOTT LAB 2012-11-28 CN claimed
CN-102558196-A Method for preparing (3,4)-1,4-dioxoethylidene thiophene-2'-methanol ZHANGJIAGANG BEILI CHEMICALS CO LTD 2012-07-11 CN claimed
EP-2424499-A1 STABILIZED LIPID FORMULATION OF APOPTOSIS PROMOTER Abbott Laboratories (US) 2012-03-07 EP claimed
WO-2010127193-A1 STABILIZED LIPID FORMULATION OF APOPTOSIS PROMOTER ABBOTT LABORATORIES (US) 2010-11-04 WO claimed
US-20100278905-A1 STABILIZED LIPID FORMULATION OF APOPTOSIS PROMOTER ABBVIE INC. 2010-11-04 US claimed
US-4122258-A Process for producing desacetoxycephalosporin derivatives by heating a penicillin-1-oxide in presence of an organic sulfide TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1978-10-24 US claimed
CN-117486855-A Process for preparing 2, 5-thiophenedicarboxylic acid 三门峡奥科科技有限公司 2024-02-02 CN disclosed
CN-117486855-A Process for preparing 2, 5-thiophenedicarboxylic acid 三门峡奥科科技有限公司 2024-02-02 CN disclosed
US-20230140494-A1 ADDITIVE FOR ELECTROLYTE OF SECONDARY LITHIUM BATTERY, ELECTROLYTE FOR SECONDARY LITHIUM BATTERY, AND SECONDARY LITHIUM BATTERY COMPRISING SAME SAMSUNG SDI CO., LTD. (KR) 2023-05-04 US disclosed
EP-0466200-A1 Aminocarboxylic acids and derivatives thereof NYCOMED IMAGING AS (NO) 1992-01-15 EP disclosed
WO-1989000557-A1 AMINOPOLYCARBOXYLIC ACIDS AND DERIVATIVES THEREOF COCKBAIN, JULIAN, RODERICK, MICHAELSON (GB) 1989-01-26 WO disclosed
US-4122258-A Process for producing desacetoxycephalosporin derivatives by heating a penicillin-1-oxide in presence of an organic sulfide TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1978-10-24 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 (1 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-20100278905-A1 STABILIZED LIPID FORMULATION OF APOPTOSIS PROMOTER BCL2, BAX, BCOR SMN1; SMN2 820/4885CA14 4616/4885ALDH1A1 3985/4885

“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.