SCHEMBL3485245

SCHEMBL3485245

CCOC(=O)CCCCCCCN(C)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 3/20 0.53
MAPK1 P28482 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
LMNA P02545 5/20 0.52
SMN1; SMN2 Q16637 5/20 0.51
HTT P42858 2/20 0.51
MEN1 O00255 1/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.50
HSD17B10 Q99714 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL599787 0.83 GAA (0.59) KMT2AALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL3484826 0.83 GAA (0.59) KMT2AALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL18986533 0.83 LMNA (0.55) KMT2AALDH1A1LMNASMN1; SMN2HTT
SCHEMBL7673729 0.80 ALDH1A1 (0.56) L3MBTL1KMT2AALDH1A1MAPK1LMNA
SCHEMBL8008989 0.80 MCHR1 (0.60) KMT2AALDH1A1LMNASMN1; SMN2HTT
SCHEMBL14002193 0.80 MCHR1 (0.60) KMT2AALDH1A1LMNASMN1; SMN2HTT
SCHEMBL9865284 0.77 DNM1 (0.46) L3MBTL1KMT2AALDH1A1MAPK1TDP1
SCHEMBL5800952 0.77 L3MBTL1 (0.44) L3MBTL1KMT2AALDH1A1MAPK1TDP1
SCHEMBL12169294 0.77 LMNA (0.52) KMT2ATDP1LMNASMN1; SMN2HTT
SCHEMBL10463695 0.76 CNR2 (0.49) L3MBTL1KMT2AALDH1A1MAPK1TDP1

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
US-8785381-B2 Oral GLP-1 formulations EMISPHERE TECHNOLOGIES, INC. (US) 2014-07-22 US disclosed
US-8785381-B2 Oral GLP-1 formulations EMISPHERE TECHNOLOGIES, INC. (US) 2014-07-22 US disclosed
US-8785381-B2 Oral GLP-1 formulations EMISPHERE TECHNOLOGIES, INC. (US) 2014-07-22 US disclosed
US-20100016229-A1 Oral GLP-1 Formulations NOVO NORDISK NORTH AMERICA OPERATIONS A/S (DK) 2010-01-21 US disclosed
US-20100016229-A1 Oral GLP-1 Formulations NOVO NORDISK NORTH AMERICA OPERATIONS A/S (DK) 2010-01-21 US disclosed
US-20100016229-A1 Oral GLP-1 Formulations NOVO NORDISK NORTH AMERICA OPERATIONS A/S (DK) 2010-01-21 US disclosed
US-20060286129-A1 Oral GLP-1 formulations EMISPHERE TECHNOLOGIES, INC. (US) 2006-12-21 US disclosed
WO-2005062874-A2 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2005-07-14 WO disclosed
US-20050147662-A1 Compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2005-07-07 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-20050147662-A1 Compounds and compositions for delivering active agents SERPINB1, ELANE, MMP8 L3MBTL1 3798/4885KMT2A 4537/4885ALDH1A1 2208/4885
US-20060286129-A1 Oral GLP-1 formulations GLP1R, GIPR, GCGR L3MBTL1 3877/4885KMT2A 3557/4885ALDH1A1 3278/4885
US-20100016229-A1 Oral GLP-1 Formulations GLP1R, GIPR, GCGR L3MBTL1 4068/4885KMT2A 3427/4885ALDH1A1 2787/4885

“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.