SCHEMBL73892

SCHEMBL73892

O=C(O)C(O)(c1cccs1)c1cccs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.45
CHRM3 P20309 11/20 0.43
CHRM2 P08172 10/20 0.43
CHRM1 P11229 8/20 0.43
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
CYP2C9 P11712 1/20 0.41
GAA P10253 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KIF11 P52732 1/20 0.40
HPGDS O60760 1/20 0.39
POLB P06746 2/20 0.39
CHRM4 P08173 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
Bromide SCHEMBL16713401 0.98 DAO (0.43) DAOCHRM3CHRM2CHRM1CES2
Fluoride SCHEMBL14940050 0.98 DAO (0.43) DAOCHRM3CHRM2CHRM1CES2
Bromomethane SCHEMBL5389919 0.94 CHRM3 (0.41) DAOCHRM3CHRM2CHRM1CES2
Iodomethane SCHEMBL6402613 0.94 CHRM3 (0.41) DAOCHRM3CHRM2CHRM1CES2
Fumaric Acid SCHEMBL17821282 0.91 HCAR2 (0.49) DAOCHRM3CHRM2CHRM1CES2
SCHEMBL73656 0.88 CHRM3 (0.50) DAOCHRM3CHRM2CHRM1CYP2C9
SCHEMBL5964331 0.88 CHRM3 (0.50) DAOCHRM3CHRM2CHRM1CYP2C9
SCHEMBL12633531 0.86 CHRM3 (0.40) DAOCHRM3CHRM2CHRM1CES2
SCHEMBL27661802 0.85 SMN1; SMN2 (0.43) CHRM3CHRM2CHRM1CYP2C9GAA
SCHEMBL27681373 0.85 CHRM3 (0.43) CHRM3CHRM2CHRM1CYP2C9GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114057683-A Preparation method of tiotropium bromide intermediate 鲁南制药集团股份有限公司 2022-02-18 CN claimed
US-10632109-B2 Tiotropium inhalation solution for nebulization GLENMARK SPECIALTY S.A. (CH) 2020-04-28 US claimed
US-20190231758-A1 TIOTROPIUM INHALATION SOLUTION FOR NEBULIZATION GLENMARK SPECIALTY S.A. (CH) 2019-08-01 US claimed
WO-2018150347-A1 COMPOUNDS WITH BETA-ADRENERGIC AGONIST AND ANTIMUSCARINIC ACTIVITY TORRENT PHARMACEUTICALS LIMITED (IN) 2018-08-23 WO claimed
US-9987260-B2 Tiotropium inhalation solution for nebulization GLENMARK SPECIALTY S.A. (CH) 2018-06-05 US claimed
CN-108059632-A A kind of preparation method of R-2,2- bis- (2- thienyls) -2- hydroxyacetic acid quinine -3- base esters 扬州奥锐特药业有限公司 2018-05-22 CN claimed
EP-2961407-B1 SALTS OF 2-AMINO-1-HYDROXYETHYL-8-HYDROXYQUINOLIN-2(1H)-ONE DERIVATIVES HAVING BOTH 2 ADRENERGIC RECEPTOR AGONIST AND M3 MUSCARINIC RECEPTOR ANTAGONIST ACTIVITIES ALMIRALL SA (ES) 2018-04-11 EP claimed
WO-2018055642-A1 A PROCESS FOR PREPARING TIOTROPIUM BROMIDE AND INTERMEDIATES THEREOF GBR LABORATORIES PVT. LTD. (IN) 2018-03-29 WO claimed
CN-105440030-B A kind of choline m receptor antagonist aclidinium bromide and preparation method thereof 东华大学 2017-08-01 CN claimed
CN-105348279-B A kind of (2 thienyl) base esters of 2 hydroxyacetic acid quinine 3 of R 2,2 2 and its preparation and application 东华大学 2017-06-06 CN claimed
US-20060047120-A1 New method for preparing tiotropium salts BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2006-03-02 US 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
US-20050282875-A1 Pyrrolidinium derivatives LABORATORIOS ALMIRALL S.A. (ES) 2005-12-22 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-1497284-A2 PYRROLIDINIUM DERIVATIVES AS ANTAGONISTS OF M3 MUSCARINIC RECEPTORS Almirall Prodesfarma AG (CH) 2005-01-19 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
EP-1156769-B1 CARTRIDGE FOR A LIQUID BOEHRINGER INGELHEIM INT (DE) 2004-09-29 EP claimed
WO-2003087094-A2 PYRROLIDINIUM DERIVATIVES AS ANTAGONISTS OF M3 MUSCARINIC RECEPTORS ALMIRALL PRODESFARMA AG (CH) 2003-10-23 WO 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 (5 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-10632109-B2 Tiotropium inhalation solution for nebulization IL5, CFTR, THOP1 DAO 1960/4885CHRM3 18/4885CHRM2 65/4885
US-20050282875-A1 Pyrrolidinium derivatives CHRM3, CHRM2, CHRM1 DAO 3434/4885CHRM3 1/4885CHRM2 2/4885
US-20190231758-A1 TIOTROPIUM INHALATION SOLUTION FOR NEBULIZATION IL5, CFTR, THOP1 DAO 1960/4885CHRM3 18/4885CHRM2 65/4885
US-20060002861-A1 Pharmaceutical compositions comprising 17alpha-furanylesters of 17beta-carbothiate androstanes with a muscarinic receptor antagonist CYP17A1, HSD17B7, NR5A1 DAO 3148/4885CHRM3 6/4885CHRM2 67/4885
US-20060047120-A1 New method for preparing tiotropium salts NR5A1, THOP1, CYP21A2 DAO 2738/4885CHRM3 141/4885CHRM2 132/4885

“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.