SCHEMBL14166200

SCHEMBL14166200

CCOC(=O)C(O)(c1ccccc1)c1ccsc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.50
CHRM1 P11229 6/20 0.50
CHRM3 P20309 6/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 2/20 0.50
CHRM4 P08173 2/20 0.49
ALDH1A1 P00352 2/20 0.48
CHRM5 P08912 1/20 0.44
CYP2D6 P10635 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PIN1 Q13526 1/20 0.43
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL2763579 0.86 POLB (0.62) CHRM2CHRM1CHRM3MEN1KMT2A
SCHEMBL5399482 0.80 CHRM3 (0.51) CHRM2CHRM1CHRM3MEN1KMT2A
SCHEMBL14408510 0.79 CYP2C9 (0.38) CHRM2CHRM1CHRM3MEN1KMT2A
SCHEMBL4619786 0.78 CYP2C9 (0.53) CHRM2CHRM1CHRM3MEN1KMT2A
SCHEMBL27347358 0.78 MEN1 (0.54) CHRM2CHRM1CHRM3MEN1KMT2A
SCHEMBL10815802 0.78 POLB (0.54) CHRM2CHRM1CHRM3MEN1KMT2A
SCHEMBL3179603 0.77 CNR2 (0.46) MEN1KMT2APOLBALDH1A1PIN1
SCHEMBL8910119 0.77 CYP1A2 (0.40) MEN1KMT2APOLBALDH1A1NPSR1
SCHEMBL9237244 0.77 MMP8 (0.40) MEN1KMT2APOLBALDH1A1NPSR1
SCHEMBL14681029 0.76 CHRM3 (0.53) CHRM2CHRM1CHRM3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2718281-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMA SPA (IT) 2015-09-09 EP disclosed
US-9012644-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2015-04-21 US disclosed
US-9012644-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2015-04-21 US disclosed
US-9012644-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2015-04-21 US disclosed
EP-2718281-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY Chiesi Farmaceutici S.p.A. (IT) 2014-04-16 EP disclosed
US-20130034504-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2013-02-07 US disclosed
US-20130034504-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2013-02-07 US disclosed
US-20130034504-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2013-02-07 US disclosed
WO-2012168349-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2012-12-13 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 (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-20130034504-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B CHRM2 8/4885CHRM1 16/4885CHRM3 10/4885

“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.