SCHEMBL13216628

SCHEMBL13216628

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 11/20 0.43
CHRM2 P08172 9/20 0.43
CHRM1 P11229 7/20 0.43
GAA P10253 3/20 0.41
POLB P06746 3/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
TSPO P30536 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
OPRK1 P41145 1/20 0.41
KCNH2 Q12809 1/20 0.41
PDE3A Q14432 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
DAO P14920 1/20 0.39
ALDH1A1 P00352 5/20 0.38
LMNA P02545 3/20 0.38

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
SCHEMBL14408517 0.87 CHRM3 (0.48) CHRM3CHRM2CHRM1GAAPOLB
SCHEMBL14408506 0.82 CHRM3 (0.38) CHRM3CHRM2CHRM1GAAPOLB
SCHEMBL11881887 0.82 ALDH1A1 (0.39) CHRM3CHRM2CHRM1GAAPOLB
SCHEMBL73892 0.81 DAO (0.45) CHRM3CHRM2CHRM1GAAPOLB
SCHEMBL73891 0.81 CHRM3 (0.43) CHRM3CHRM2CHRM1GAAPOLB
Bromomethane SCHEMBL5389919 0.80 CHRM3 (0.41) CHRM3CHRM2CHRM1GAAPOLB
Iodomethane SCHEMBL6402613 0.80 CHRM3 (0.41) CHRM3CHRM2CHRM1GAAPOLB
SCHEMBL14533674 0.79 CHRM3 (0.43) CHRM3CHRM2CHRM1GAAPOLB
SCHEMBL30990195 0.79 CHRM3 (0.42) CHRM3CHRM2CHRM1GAAPOLB
Bromide SCHEMBL16713401 0.79 DAO (0.43) CHRM3CHRM2CHRM1GAAPOLB

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150225395-A1 NEW PROCESS FOR THE PRODUCTION OF TIOTROPIUM SALTS BOEHRINGER INGELHEIM PHARMA (DE) 2015-08-13 US disclosed
US-20140323732-A1 NEW PROCESS FOR THE PRODUCTION OF TIOTROPIUM SALTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2014-10-30 US disclosed
US-20130116435-A1 NEW PROCESS FOR THE PRODUCTION OF TIOTROPIUM SALTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-05-09 US disclosed
US-8378103-B2 Process for the preparation of tiotropium bromide SICOR, INC. (US) 2013-02-19 US disclosed
US-8344143-B2 Process for the preparation of tiotropium bromide SICOR, INC. (US) 2013-01-01 US disclosed
US-20100210844-A1 NEW PROCESS FOR THE PRODUCTION OF TIOTROPIUM SALTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-08-19 US disclosed
US-20100105913-A1 PROCESS FOR THE PREPARATION OF TIOTROPIUM BROMIDE SICOR, INC. (US) 2010-04-29 US disclosed
US-20100099867-A1 PROCESS FOR THE PREPARATION OF TIOTROPIUM BROMIDE SICOR, INC. (US) 2010-04-22 US disclosed
US-7662963-B2 Process for the preparation of tiotropium bromide SICOR INC. (US) 2010-02-16 US disclosed
US-20090247747-A1 PROCESS FOR THE PREPARATION OF TIOTROPIUM BROMIDE SICOR, INC. (US) 2009-10-01 US disclosed
US-20080051582-A1 Process for the preparation of tiotropium bromide SICOR INC. (US) 2008-02-28 US disclosed
US-RE39820-E1 As anticholinergics, administered by inhalation, they are useful for the treatment of chronic obstructive bronchitis or slight to moderately severe asthma; administered by the intravenous or oral routes, they are useful for the treatment of vagally induced sinus bradycardia BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-09-04 US disclosed
US-RE39820-E1 As anticholinergics, administered by inhalation, they are useful for the treatment of chronic obstructive bronchitis or slight to moderately severe asthma; administered by the intravenous or oral routes, they are useful for the treatment of vagally induced sinus bradycardia BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-09-04 US disclosed
US-20070027320-A1 New Process for the Production of Tiotropium Salts BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-02-01 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 (9 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-20140323732-A1 NEW PROCESS FOR THE PRODUCTION OF TIOTROPIUM SALTS NR5A1, THOP1, CYP21A2 CHRM3 39/4885CHRM2 47/4885CHRM1 17/4885
US-20080051582-A1 Process for the preparation of tiotropium bromide ADRA2B, ADRA1B, CYP3A5 CHRM3 12/4885CHRM2 56/4885CHRM1 158/4885
US-20090247747-A1 PROCESS FOR THE PREPARATION OF TIOTROPIUM BROMIDE ADRA2B, ADRA1B, CYP3A5 CHRM3 12/4885CHRM2 56/4885CHRM1 158/4885
US-20130116435-A1 NEW PROCESS FOR THE PRODUCTION OF TIOTROPIUM SALTS NR5A1, THOP1, CYP21A2 CHRM3 39/4885CHRM2 47/4885CHRM1 17/4885
US-20100105913-A1 PROCESS FOR THE PREPARATION OF TIOTROPIUM BROMIDE ADRA2B, ADRA1B, CYP3A5 CHRM3 12/4885CHRM2 56/4885CHRM1 158/4885
US-20100099867-A1 PROCESS FOR THE PREPARATION OF TIOTROPIUM BROMIDE ADRA2B, ADRA1B, CYP3A5 CHRM3 12/4885CHRM2 56/4885CHRM1 158/4885
US-20070027320-A1 New Process for the Production of Tiotropium Salts NR5A1, THOP1, CYP21A2 CHRM3 39/4885CHRM2 47/4885CHRM1 17/4885
US-20100210844-A1 NEW PROCESS FOR THE PRODUCTION OF TIOTROPIUM SALTS NR5A1, THOP1, CYP21A2 CHRM3 39/4885CHRM2 47/4885CHRM1 17/4885
US-20150225395-A1 NEW PROCESS FOR THE PRODUCTION OF TIOTROPIUM SALTS NR5A1, THOP1, CYP21A2 CHRM3 39/4885CHRM2 47/4885CHRM1 17/4885

“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.