SCHEMBL19782641

SCHEMBL19782641

COC(=O)[C@](O)(c1ccccc1)c1cccc(OS(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.43
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 2/20 0.39
POLB P06746 2/20 0.39
TSHR P16473 1/20 0.39
CHRM2 P08172 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
CYP2D6 P10635 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
SLC6A4 P31645 1/20 0.38
KCNH2 Q12809 1/20 0.38
MAPT P10636 1/20 0.38
CXCR2 P25025 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL28444084 0.86 CYP2C9 (0.44) PPARGPPARAHSD11B1
SCHEMBL4886672 0.80 KCNN4 (0.44) KCNN4ALDH1A1POLBCHRM2CHRM1
SCHEMBL1870824 0.78 KCNN4 (0.67) KCNN4ALDH1A1POLBCHRM2CHRM1
SCHEMBL19770149 0.76 CACNA1B (0.54) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL18016307 0.76 KCNN4 (0.51) KCNN4ALDH1A1POLBCHRM2CHRM1
SCHEMBL19770150 0.76 KCNN4 (0.51) KCNN4ALDH1A1POLBCHRM2CHRM1
SCHEMBL19770179 0.76 LMNA (0.52) KCNN4POLBCHRM2CHRM1CHRM3
SCHEMBL18016251 0.76 CHRM3 (0.47) CHRM2CHRM1CHRM3CYP2D6CHRM4
SCHEMBL2349455 0.75 ACHE (0.44) POLBHSD11B1
SCHEMBL3169019 0.75 MAPT (0.54) KCNN4ALDH1A1POLBMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10196386-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2019-02-05 US disclosed
US-20180016267-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2018-01-18 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 (2 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-20180016267-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B KCNN4 1036/4885ALDH1A1 1087/4885MAPK1 1259/4885
US-10196386-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2B KCNN4 1036/4885ALDH1A1 1087/4885MAPK1 1259/4885

“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.