SCHEMBL72374

SCHEMBL72374

O=C(O)C(c1cccs1)c1cccs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.50
CES1 P23141 2/20 0.50
KEAP1 Q14145 1/20 0.50
CYP2C19 P33261 1/20 0.48
DAO P14920 1/20 0.46
ALOX5 P09917 1/20 0.46
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
HPGDS O60760 1/20 0.41
ALDH1A1 P00352 4/20 0.40
TSHR P16473 2/20 0.40
MAPT P10636 1/20 0.40
POLB P06746 2/20 0.40
HCAR2 Q8TDS4 1/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
Fluoride SCHEMBL14774852 0.98 CES2 (0.48) CES2CES1KEAP1CYP2C19DAO
Fluoride SCHEMBL14931714 0.98 CES2 (0.48) CES2CES1KEAP1CYP2C19DAO
Fumaric Acid SCHEMBL28542597 0.90 HCAR2 (0.50) CES2CES1KEAP1CYP2C19DAO
Pyridine SCHEMBL30437342 0.90 TSHR (0.47) CES2CES1KEAP1CYP2C19DAO
Pyridine SCHEMBL29016896 0.89 TSHR (0.46) CES2CES1KEAP1CYP2C19DAO
Pyridine SCHEMBL28404147 0.89 TSHR (0.46) CES2CES1KEAP1CYP2C19DAO
SCHEMBL4619853 0.88 POLB (0.50) CES2CES1KEAP1CYP2C19DAO
SCHEMBL1527335 0.83 ALOX5 (0.47) CES2CES1KEAP1CYP2C19DAO
SCHEMBL891673 0.83 ALOX5 (0.47) CES2CES1KEAP1CYP2C19DAO
SCHEMBL1527327 0.83 ALOX5 (0.47) CES2CES1KEAP1CYP2C19DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119875159-A Composite gel of modified hyaluronic acid, preparation method and application of composite gel in cosmetic filling 广东瀚润生物科技有限公司 2025-04-25 CN claimed
CN-109627374-B Polytetrafluoroethylene material with low linear expansion coefficient and adhesive property and preparation method thereof 上海嘉诺密封技术有限公司 2021-07-23 CN claimed
CN-112898835-A Low-temperature-resistant rubber cable coating and preparation method thereof 广东金源宇电线电缆有限公司 2021-06-04 CN claimed
CN-109704626-B Organic fluorine modified glycol amine substituted polycarboxylic acid cement grinding aid and preparation method thereof 湖南辰砾新材料有限公司 2021-04-02 CN claimed
CN-108129620-B Sulfonic acid type block copolymer aqueous dispersant of RAFT technology 英德科迪颜料技术有限公司 2020-11-13 CN claimed
CN-108250900-B Water-based epoxy graphene low-zinc antirust primer 明光科迪新材料有限公司 2020-09-04 CN claimed
CN-108165069-B High-content aqueous graphene dispersion liquid and preparation method thereof 明光科迪新材料有限公司 2020-09-01 CN claimed
WO-2016162878-A1 AN ADVANTAGEOUS PROCESS FOR PREPARING 1-AZONIABICYCLO[2.2.2]OCTANE,3-[(HYDROXYDI-2-THIENYLACETYL)OXY]-1-(3¬PHENOXYPROPYL)-, BROMIDE, (3R)- AND ITS NOVEL CRYSTALLINE FORM-I HARMAN FINOCHEM LIMITED (IN) 2016-10-13 WO claimed
EP-2552913-B1 METHOD FOR SYNTHESIS OF TIOTROPIUM BROMIDE BILGIC MAHMUT (TR) 2016-08-03 EP claimed
US-9242979-B2 Methods for the synthesis of tiotropium bromide BILGIC MAHMUT (TR) 2016-01-26 US claimed
US-20120321565-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 17ALPHA-FURANYLESTERS OF 17BETA-CARBOTHIATE ANDROSTANES WITH A MUSCARINIC RECEPTOR ANTAGONIST GLAXOSMITHKLINE INTELLECTUAL PROPERTY MANAGEMENT LIMITED (GB) 2012-12-20 US claimed
WO-2011123080-A1 METHOD FOR SYNTHESIS OF TIOTROPIUM BROMIDE BILGIC MAHMUT (TR) 2011-10-06 WO claimed
US-20080214600-A1 Quaternized Quinuclidine Esters ALMIRALL PRODESFARMA, SA (ES) 2008-09-04 US claimed
EP-1725552-B1 NEW QUATERNIZED QUINUCLIDINE ESTERS ALMIRALL LAB (ES) 2008-06-25 EP claimed
EP-1725552-A1 NEW QUATERNIZED QUINUCLIDINE ESTERS Almirall Prodesfarma, S.A. (ES) 2006-11-29 EP claimed
US-20060002861-A1 Pharmaceutical compositions comprising 17alpha-furanylesters of 17beta-carbothiate androstanes with a muscarinic receptor antagonist GLAXOSMITHKLINE INTELLECTUAL PROPERTY MANAGEMENT LIMITED (GB) 2006-01-05 US claimed
WO-2005090342-A1 NEW QUATERNIZED QUINUCLIDINE ESTERS ALMIRALL PRODESFARMA, SA (ES) 2005-09-29 WO claimed
EP-1471919-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING 17ALPHA-FURANYLESTERS OF 17BETA-CARBOTHIOATE ANDROSTANES WITH A MUSCARINIC RECEPTOR ANTAGONIST GLAXO GROUP LTD (GB) 2005-08-10 EP claimed
EP-1471919-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 17ALPHA-FURANYLESTERS OF 17BETA-CARBOTHIOATE ANDROSTANES WITH A MUSCARINIC RECEPTOR ANTAGONIST GLAXO GROUP LIMITED (GB) 2004-11-03 EP claimed
WO-2003066063-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 17ALPHA-FURANYLESTERS OF 17BETA-CARBOTHIOATE ANDROSTANES WITH A MUSCARINIC RECEPTOR ANTAGONIST GLAXO GROUP LIMITED (GB) 2003-08-14 WO claimed

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-20080214600-A1 Quaternized Quinuclidine Esters NQO2, QPCT, QARS1 CES2 1023/4885CES1 601/4885KEAP1 84/4885
US-20060002861-A1 Pharmaceutical compositions comprising 17alpha-furanylesters of 17beta-carbothiate androstanes with a muscarinic receptor antagonist CYP17A1, HSD17B7, NR5A1 CES2 1227/4885CES1 796/4885KEAP1 2128/4885
US-20120321565-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 17ALPHA-FURANYLESTERS OF 17BETA-CARBOTHIATE ANDROSTANES WITH A MUSCARINIC RECEPTOR ANTAGONIST CYP17A1, HSD17B7, NR5A1 CES2 1227/4885CES1 796/4885KEAP1 2128/4885

“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.