SCHEMBL10102772

SCHEMBL10102772

O=C(N[C@H](C(=O)O)c1ccccc1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.69
CA2 P00918 2/20 0.69
LMNA P02545 2/20 0.58
HPGD P15428 1/20 0.58
CTRB1 P17538 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
S1PR4 O95977 2/20 0.54
S1PR3 Q99500 2/20 0.54
ALDH1A1 P00352 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
TSHR P16473 1/20 0.54

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
SCHEMBL1649573 1.00 CA1 (0.69) CA1CA2LMNAHPGDCTRB1
SCHEMBL18232126 1.00 CA1 (0.69) CA1CA2LMNAHPGDCTRB1
Benzoic Acid SCHEMBL6534685 0.94 CA1 (0.63) CA1CA2LMNAHPGDCTRB1
SCHEMBL6380009 0.89 CA1 (0.57) CA1CA2LMNAHPGDCTRB1
SCHEMBL6380018 0.89 CA1 (0.57) CA1CA2LMNAHPGDCTRB1
SCHEMBL4677603 0.88 CA1 (0.64) CA1CA2LMNAHPGDSMN1; SMN2
SCHEMBL14595547 0.86 LMNA (0.56) CA1CA2LMNAHPGDCTRB1
SCHEMBL6963259 0.86 LMNA (0.56) CA1CA2LMNAHPGDCTRB1
SCHEMBL28419504 0.85 CA1 (0.57) CA1CA2LMNAHPGDSMN1; SMN2
SCHEMBL9848833 0.85 ALDH1A1 (0.55) CA1CA2LMNAHPGDCTRB1

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 CA1 2850/4885CA2 1611/4885LMNA 4030/4885
US-20110178006-A1 METHOD FOR ADMINISTERING GLP-1 MOLECULES GLP1R, GIPR, GPR119 CA1 2850/4885CA2 1611/4885LMNA 4030/4885
US-20090286735-A1 METHOD FOR ADMINISTERING GLP-1 MOLECULES GLP1R, GIPR, GPR119 CA1 2850/4885CA2 1611/4885LMNA 4030/4885

“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.