SCHEMBL22198053

SCHEMBL22198053

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 19/20 0.46
CHRM2 P08172 15/20 0.46
CHRM1 P11229 13/20 0.46
CHRM4 P08173 2/20 0.41
CHRM5 P08912 2/20 0.41
ADRA1A P35348 2/20 0.41
HRH1 P35367 2/20 0.41
OPRK1 P41145 2/20 0.41
KCNH2 Q12809 2/20 0.41
TSPO P30536 1/20 0.41
PDE3A Q14432 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
ADRA2A P08913 1/20 0.37
ADRA2C P18825 1/20 0.37
TACR1 P25103 1/20 0.37
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL18240372 0.79 CHRM3 (0.50) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL826276 0.77 CHRM3 (0.49) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL2289504 0.73 CHRM3 (0.46) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL73891 0.72 CHRM3 (0.43) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL73892 0.72 DAO (0.45) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL982657 0.72 CHRM3 (0.45) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL2829164 0.71 CHRM3 (0.41) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL16053656 0.71 CHRM3 (0.47) CHRM3CHRM2CHRM1CHRM4CHRM5
Bromide SCHEMBL16713401 0.71 DAO (0.43) CHRM3CHRM2CHRM1CHRM4CHRM5
Fluoride SCHEMBL14940050 0.71 DAO (0.43) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200215051-A1 NEBULIZATION COMPOSITION COMPRISING TIOTROPIUM AND INDACATEROL GLENMARK SPECIALTY S.A. (CH) 2020-07-09 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 (1 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-20200215051-A1 NEBULIZATION COMPOSITION COMPRISING TIOTROPIUM AND INDACATEROL IL5, IL17A, CFTR CHRM3 72/4885CHRM2 296/4885CHRM1 487/4885

“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.