Sugi Predict

Sugi Predict / Compounds / SCHEMBL826276

SCHEMBL826276

SCHEMBL826276

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 15/20 0.49
▸ CHRM2 P08172 13/20 0.49
▸ CHRM1 P11229 11/20 0.49
▸ CHRM4 P08173 2/20 0.47
▸ CHRM5 P08912 1/20 0.47
▸ TSPO P30536 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ HRH1 P35367 1/20 0.47
▸ OPRK1 P41145 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ PDE3A Q14432 1/20 0.47
▸ TMEM97 Q5BJF2 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ RAB9A P51151 1/20 0.42
▸ SRC P12931 1/20 0.41
▸ KCNN4 O15554 1/20 0.40

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
SCHEMBL28905886 0.89 CHRM3 (0.54) CHRM3CHRM2CHRM1POLBGAA
Maleic Anhydride SCHEMBL27938981 0.88 CHRM3 (0.44) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL25907838 0.88 CHRM3 (0.42) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL25907218 0.88 CHRM3 (0.42) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL25908773 0.88 CHRM3 (0.42) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL21085191 0.86 POLB (0.44) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL13916203 0.84 SRC (0.40) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL11468485 0.84 RAB9A (0.41) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL29280614 0.83 L3MBTL1 (0.41) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL18240372 0.83 CHRM3 (0.50) CHRM3CHRM2CHRM1CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118330072-A Method for detecting content of related substances in 2, 2-dithiophene methyl glycolate by using high performance liquid chromatography 南京联智医药科技有限公司 2024-07-12 — — CN claimed
CN-114890997-A Preparation process of anticholinergic drug tiaogelium bromide 江苏联环药业股份有限公司 2022-08-12 — — CN claimed
CN-111961345-A Heat-resistant silicone rubber insulated cable 王社兵 2020-11-20 — — CN claimed
CN-106831756-B A kind of high-purity high-yield is suitble to the aclidinium bromide preparation method of industrialized production 广州迈达康医药科技有限公司 2019-03-26 — — CN 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-106831756-A A kind of high-purity high-yield is adapted to the aclidinium bromide preparation method of industrialized production 广州迈达康医药科技有限公司 2017-06-13 — — 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
CN-105504414-A Rubber for vessel fenders CHONG XISHAN 2016-04-20 — — CN claimed
CN-105482279-A Anti-aging rubber for ship fender CHONG XISHAN 2016-04-13 — — CN claimed
CN-105440030-A Choline M receptor antagonist aclidinium bromide and preparation method thereof NAT UNIV DONG HWA 2016-03-30 — — CN claimed
WO-2011095800-A2 ANALYTICAL METHODS GENERICS [UK] LIMITED (GB) 2011-08-11 — — WO claimed
CN-101979391-A Method for preparing tiotropium bromide JINAN DEXINJIA BIO & TECH CO LTD 2011-02-23 — — CN claimed
WO-2011015884-A1 PROCESS TO PREPARE SCOPINE ESTERS GENERICS [UK] LIMITED (GB) 2011-02-10 — — WO claimed
US-20100105913-A1 PROCESS FOR THE PREPARATION OF TIOTROPIUM BROMIDE SICOR, INC. (US) 2010-04-29 — — US claimed
US-20100099867-A1 PROCESS FOR THE PREPARATION OF TIOTROPIUM BROMIDE SICOR, INC. (US) 2010-04-22 — — US claimed
US-7662963-B2 Process for the preparation of tiotropium bromide SICOR INC. (US) 2010-02-16 — — US claimed
US-20090247747-A1 PROCESS FOR THE PREPARATION OF TIOTROPIUM BROMIDE SICOR, INC. (US) 2009-10-01 — — US claimed
EP-2018379-A2 SCOPINE SALTS AND THEIR USE IN PROCESSES FOR THE PREPARATION OF N-DEMETHYL-TIOTROPIUM AND TIOTROPIUM BROMIDE Sicor, Inc. (US) 2009-01-28 — — EP claimed
US-20080051582-A1 Process for the preparation of tiotropium bromide SICOR INC. (US) 2008-02-28 — — US claimed
WO-2008008376-A2 SCOPINE SALTS AND THEIR USE IN PROCESSES FOR THE PREPARATION OF N-DEMETHYL-TIOTROPIUM AND TIOTROPIUM BROMIDE SICOR INC. (US) 2008-01-17 — — 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 (4 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-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-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

“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.