SCHEMBL2547716

SCHEMBL2547716

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
KEAP1 Q14145 1/20 0.47
ALOX5 P09917 1/20 0.43
CHRM3 P20309 4/20 0.40
CHRM2 P08172 3/20 0.40
CHRM1 P11229 3/20 0.40
DAO P14920 1/20 0.39
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC1 Q13547 1/20 0.36
TSHR P16473 2/20 0.36
MAPT P10636 1/20 0.35
TACR3 P29371 1/20 0.35

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
SCHEMBL2547719 0.89 ALOX5 (0.42) CES2CES1KEAP1ALOX5CHRM3
SCHEMBL442866 0.86 CES2 (0.46) CES2CES1KEAP1ALOX5CHRM3
SCHEMBL2821064 0.84 HPGD (0.45) CES2CES1KEAP1ALOX5CHRM3
SCHEMBL10478379 0.80 CES2 (0.41) CES2CES1KEAP1ALOX5CHRM3
SCHEMBL72374 0.78 CES2 (0.50) CES2CES1KEAP1ALOX5CHRM3
SCHEMBL72373 0.78 CES2 (0.50) CES2CES1KEAP1ALOX5CHRM3
SCHEMBL28627758 0.77 ALDH1A1 (0.47) CHRM3CHRM2CHRM1CYP2C19ALDH1A1
SCHEMBL7723137 0.77 CES2 (0.48) CES2CES1KEAP1ALOX5CHRM3
Fluoride SCHEMBL14774852 0.77 CES2 (0.48) CES2CES1KEAP1ALOX5CHRM3
Fluoride SCHEMBL14931714 0.77 CES2 (0.48) CES2CES1KEAP1ALOX5CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20150148540-A1 METHODS FOR THE SYNTHESIS OF TIOTROPIUM BROMIDE BILGIC MAHMUT (TR) 2015-05-28 US claimed
EP-2552913-A1 METHOD FOR SYNTHESIS OF TIOTROPIUM BROMIDE Bilgic, Mahmut (TR) 2013-02-06 EP claimed
US-20130030182-A1 METHODS FOR THE SYNTHESIS OF TIOTROPIUM BROMIDE BILGIC MAHMUT (TR) 2013-01-31 US claimed
WO-2011123080-A1 METHOD FOR SYNTHESIS OF TIOTROPIUM BROMIDE BILGIC MAHMUT (TR) 2011-10-06 WO claimed
CN-104557905-B A kind of preparation method of Tiotropium Bromide intermediate 天津金耀集团有限公司 2018-02-23 CN disclosed
US-9440945-B2 Methods for the synthesis of tiotropium bromide BILGIC MAHMUT (TR) 2016-09-13 US disclosed
US-9440945-B2 Methods for the synthesis of tiotropium bromide BILGIC MAHMUT (TR) 2016-09-13 US disclosed
US-9440945-B2 Methods for the synthesis of tiotropium bromide BILGIC MAHMUT (TR) 2016-09-13 US disclosed
US-20160221986-A1 METHODS FOR THE SYNTHESIS OF TIOTROPIUM BROMIDE BILGIC MAHMUT (TR) 2016-08-04 US disclosed
US-20160221986-A1 METHODS FOR THE SYNTHESIS OF TIOTROPIUM BROMIDE BILGIC MAHMUT (TR) 2016-08-04 US disclosed
US-20160221986-A1 METHODS FOR THE SYNTHESIS OF TIOTROPIUM BROMIDE BILGIC MAHMUT (TR) 2016-08-04 US disclosed
US-8957209-B2 Methods for the synthesis of tiotropium bromide BILGIC MAHMUT (TR) 2015-02-17 US disclosed
EP-2552913-A1 METHOD FOR SYNTHESIS OF TIOTROPIUM BROMIDE Bilgic, Mahmut (TR) 2013-02-06 EP disclosed
US-20130030182-A1 METHODS FOR THE SYNTHESIS OF TIOTROPIUM BROMIDE BILGIC MAHMUT (TR) 2013-01-31 US disclosed
US-20130030182-A1 METHODS FOR THE SYNTHESIS OF TIOTROPIUM BROMIDE BILGIC MAHMUT (TR) 2013-01-31 US disclosed
US-20130030182-A1 METHODS FOR THE SYNTHESIS OF TIOTROPIUM BROMIDE BILGIC MAHMUT (TR) 2013-01-31 US disclosed
WO-2011123080-A1 METHOD FOR SYNTHESIS OF TIOTROPIUM BROMIDE BILGIC MAHMUT (TR) 2011-10-06 WO disclosed
WO-2011123080-A1 METHOD FOR SYNTHESIS OF TIOTROPIUM BROMIDE BILGIC MAHMUT (TR) 2011-10-06 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-20160221986-A1 METHODS FOR THE SYNTHESIS OF TIOTROPIUM BROMIDE CHRNA5, CHRNA9, CHRNA7 CES2 2476/4885CES1 1653/4885KEAP1 2808/4885
US-20130030182-A1 METHODS FOR THE SYNTHESIS OF TIOTROPIUM BROMIDE CHRNA5, CHRNA9, CHRNA7 CES2 2476/4885CES1 1653/4885KEAP1 2808/4885
US-20150148540-A1 METHODS FOR THE SYNTHESIS OF TIOTROPIUM BROMIDE CHRNA5, CHRNA9, CHRNA7 CES2 2476/4885CES1 1653/4885KEAP1 2808/4885

“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.