SCHEMBL10102484

SCHEMBL10102484

CN(c1ccc(CCCC(=O)O)cc1)S(=O)(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
HDAC3 O15379 1/20 0.54
MAPK1 P28482 1/20 0.54
ADRA1A P35348 1/20 0.54
HDAC4 P56524 1/20 0.54
SLC6A3 Q01959 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
NR1I2 O75469 1/20 0.52
MCHR1 Q99705 1/20 0.52
LIMK2 P53671 1/20 0.49
NR1H2 P55055 2/20 0.49
NR1H3 Q13133 2/20 0.49

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
SCHEMBL10102576 0.86 SMN1; SMN2 (0.51) SMN1; SMN2HDAC1HDAC8HDAC3MAPK1
SCHEMBL25413815 0.79 NR1I2 (0.60) SMN1; SMN2HDAC1HDAC8NR1I2LIMK2
SCHEMBL9408029 0.78 MCHR1 (0.58) SMN1; SMN2NR1I2MCHR1LIMK2NR1H3
SCHEMBL27881095 0.77 HDAC1 (0.67) SMN1; SMN2HDAC1HDAC8HDAC3MAPK1
SCHEMBL472311 0.77 ALDH1A1 (0.61) SMN1; SMN2HDAC1HDAC8HDAC3MAPK1
SCHEMBL19248976 0.76 HDAC1 (0.65) SMN1; SMN2HDAC1HDAC8HDAC3MAPK1
SCHEMBL812702 0.75 CA12 (0.78) SMN1; SMN2NR1I2NR1H2NR1H3MAPT
Phenylbutanoic Acid SCHEMBL31228551 0.75 HDAC1 (0.95) SMN1; SMN2HDAC1HDAC8HDAC3MAPK1
SCHEMBL10102760 0.74 SMN1; SMN2 (0.57) SMN1; SMN2HDAC1HDAC8HDAC3MAPK1
SCHEMBL3718777 0.74 NR1I2 (0.62) SMN1; SMN2HDAC1HDAC8MAPK1NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2409569-B1 Method for administering GLP-1 molecules EMISPHERE TECH INC (US) 2017-08-16 EP disclosed
EP-1478233-B1 METHOD FOR ADMINISTERING GLP-1 MOLECULES EMISPHERE TECH INC (US) 2016-11-09 EP disclosed
US-20150202296-A1 METHOD FOR ADMINISTERING GLP-1 MOLECULES NOVO NORDISK NORTH AMERICA OPERATIONS A/S (DK) 2015-07-23 US disclosed
US-20150202296-A1 METHOD FOR ADMINISTERING GLP-1 MOLECULES NOVO NORDISK NORTH AMERICA OPERATIONS A/S (DK) 2015-07-23 US disclosed
US-8492330-B2 Formulation comprising GLP-1 EMISPHERE TECHNOLOGIES, INC. (US) 2013-07-23 US disclosed
US-8492330-B2 Formulation comprising GLP-1 EMISPHERE TECHNOLOGIES, INC. (US) 2013-07-23 US disclosed
EP-2409569-A2 Method for administering GLP-1 molecules Emisphere Technologies, Inc. (US) 2012-01-25 EP disclosed
US-20110178006-A1 METHOD FOR ADMINISTERING GLP-1 MOLECULES EMISPHERE TECHNOLOGIES, INC. (US) 2011-07-21 US disclosed
US-20110178006-A1 METHOD FOR ADMINISTERING GLP-1 MOLECULES EMISPHERE TECHNOLOGIES, INC. (US) 2011-07-21 US disclosed
US-7939494-B2 Method for administering GLP-1 molecules EMISPHERE TECHNOLOGIES, INC. (US) 2011-05-10 US disclosed
US-7939494-B2 Method for administering GLP-1 molecules EMISPHERE TECHNOLOGIES, INC. (US) 2011-05-10 US disclosed
US-20090286735-A1 METHOD FOR ADMINISTERING GLP-1 MOLECULES NOVO NORDISK NORTH AMERICA OPERATIONS A/S (DK) 2009-11-19 US disclosed
US-20090286735-A1 METHOD FOR ADMINISTERING GLP-1 MOLECULES NOVO NORDISK NORTH AMERICA OPERATIONS A/S (DK) 2009-11-19 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 (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-20150202296-A1 METHOD FOR ADMINISTERING GLP-1 MOLECULES GLP1R, GIPR, GPR119 SMN1; SMN2 3138/4885HDAC1 3498/4885HDAC8 3308/4885
US-20110178006-A1 METHOD FOR ADMINISTERING GLP-1 MOLECULES GLP1R, GIPR, GPR119 SMN1; SMN2 3138/4885HDAC1 3498/4885HDAC8 3308/4885
US-20090286735-A1 METHOD FOR ADMINISTERING GLP-1 MOLECULES GLP1R, GIPR, GPR119 SMN1; SMN2 3138/4885HDAC1 3498/4885HDAC8 3308/4885

“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.