SCHEMBL2547719

SCHEMBL2547719

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
KEAP1 Q14145 1/20 0.42
HSD17B2 P37059 1/20 0.37
CHRM3 P20309 4/20 0.37
CHRM2 P08172 3/20 0.37
CHRM1 P11229 3/20 0.37
TACR3 P29371 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL2547716 0.89 CES2 (0.47) ALOX5CES2CES1KEAP1CHRM3
SCHEMBL2821064 0.81 HPGD (0.45) ALOX5CES2CES1KEAP1CHRM3
SCHEMBL442866 0.79 CES2 (0.46) ALOX5CES2CES1KEAP1CHRM3
SCHEMBL19187460 0.76 ALOX5 (0.42) ALOX5CES2CES1KEAP1CHRM3
SCHEMBL14033294 0.74 ALOX5 (0.45) ALOX5CES2CES1KEAP1HSD17B2
SCHEMBL10478379 0.74 CES2 (0.41) ALOX5CES2CES1KEAP1CHRM3
SCHEMBL72374 0.72 CES2 (0.50) ALOX5CES2CES1KEAP1CHRM3
SCHEMBL72373 0.72 CES2 (0.50) ALOX5CES2CES1KEAP1CHRM3
SCHEMBL28970770 0.72 HCAR2 (0.45) ALOX5CES2CES1KEAP1CHRM3
SCHEMBL11214693 0.71 ALOX5 (0.42) ALOX5CES2CES1KEAP1HSD17B2

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 16 patents. 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-20160221986-A1 METHODS FOR THE SYNTHESIS OF TIOTROPIUM BROMIDE BILGIC MAHMUT (TR) 2016-08-04 US disclosed
EP-2552913-B1 METHOD FOR SYNTHESIS OF TIOTROPIUM BROMIDE BILGIC MAHMUT (TR) 2016-08-03 EP disclosed
US-9242979-B2 Methods for the synthesis of tiotropium bromide BILGIC MAHMUT (TR) 2016-01-26 US disclosed
US-20150148540-A1 METHODS FOR THE SYNTHESIS OF TIOTROPIUM BROMIDE BILGIC MAHMUT (TR) 2015-05-28 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
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 ALOX5 724/4885CES2 2476/4885CES1 1653/4885
US-20130030182-A1 METHODS FOR THE SYNTHESIS OF TIOTROPIUM BROMIDE CHRNA5, CHRNA9, CHRNA7 ALOX5 724/4885CES2 2476/4885CES1 1653/4885
US-20150148540-A1 METHODS FOR THE SYNTHESIS OF TIOTROPIUM BROMIDE CHRNA5, CHRNA9, CHRNA7 ALOX5 724/4885CES2 2476/4885CES1 1653/4885

“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.