SCHEMBL1114977

SCHEMBL1114977

COc1ccc(C(=O)NC(C)CC(=O)O)c(O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.68
MEN1 O00255 4/20 0.68
TAS1R3 Q7RTX0 1/20 0.62
TAS1R1 Q7RTX1 1/20 0.62
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
HPGD P15428 3/20 0.51
CYP3A4 P08684 3/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPK1 P28482 2/20 0.51
KLKB1 P03952 1/20 0.50
LMNA P02545 3/20 0.49
CYP1A2 P05177 2/20 0.49
PGR P06401 2/20 0.49
SLC6A2 P23975 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2D6 P10635 1/20 0.49
PDE4A P27815 1/20 0.49
HRH1 P35367 1/20 0.49
HTT P42858 1/20 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
SCHEMBL1114951 0.89 MEN1 (0.55) KMT2AMEN1TAS1R3TAS1R1NPC1
SCHEMBL12855961 0.84 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL1115005 0.81 KDM4E (0.50) KMT2AMEN1HPGDALDH1A1MAPK1
SCHEMBL12679754 0.80 ALOX5 (0.48) KMT2AMEN1HPGDALDH1A1LMNA
SCHEMBL7660841 0.79 TAS1R3 (0.57) KMT2AMEN1TAS1R3TAS1R1NPC1
SCHEMBL13494899 0.78 TAS1R3 (0.61) KMT2AMEN1TAS1R3TAS1R1NPC1
SCHEMBL11324398 0.77 NPC1 (0.72) KMT2AMEN1TAS1R3TAS1R1NPC1
SCHEMBL1114965 0.77 KDM4E (0.62) KMT2AMEN1NPC1RAB9AHPGD
SCHEMBL4211847 0.77 TAS1R3 (1.00) KMT2AMEN1TAS1R3TAS1R1NPC1
SCHEMBL4932107 0.76 ALDH1A1 (0.66) KMT2AMEN1TAS1R3TAS1R1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2279732-A2 Compounds and compositions for delivering active agents Emisphere Technologies, Inc. (US) 2011-02-02 EP claimed
US-8273794-B2 7-[isopropyl(phenyl)amino]-7-oxoheptanoic acid, 3-(2-Hydroxy-benzoylamino)-butyric acid, 4-Oxo-4-phenyl-butyric acid, 10-(2-Hydroxy-phenyl)-10-oxo-decanoic acid, 4-(4-Methoxy-phenyl)-4-oxo-butyric acid: promoting the absorption of the active agent EMISPHERE TECHNOLOGIES, INC. (US) 2012-09-25 US disclosed
US-8273794-B2 7-[isopropyl(phenyl)amino]-7-oxoheptanoic acid, 3-(2-Hydroxy-benzoylamino)-butyric acid, 4-Oxo-4-phenyl-butyric acid, 10-(2-Hydroxy-phenyl)-10-oxo-decanoic acid, 4-(4-Methoxy-phenyl)-4-oxo-butyric acid: promoting the absorption of the active agent EMISPHERE TECHNOLOGIES, INC. (US) 2012-09-25 US disclosed
EP-2279732-A2 Compounds and compositions for delivering active agents Emisphere Technologies, Inc. (US) 2011-02-02 EP disclosed
EP-2279732-A2 Compounds and compositions for delivering active agents Emisphere Technologies, Inc. (US) 2011-02-02 EP disclosed
US-20080255250-A1 Compounds and Compositions for Delivering Active Agents EMISPHERE TECHNOLOGIES, INC. (US) 2008-10-16 US disclosed
US-20080255250-A1 Compounds and Compositions for Delivering Active Agents EMISPHERE TECHNOLOGIES, INC. (US) 2008-10-16 US disclosed
EP-1756039-A4 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2007-05-02 EP disclosed
EP-1756039-A2 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS Emisphere Technologies, Inc. (US) 2007-02-28 EP disclosed
WO-2005112633-A2 COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2005-12-01 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-20080255250-A1 Compounds and Compositions for Delivering Active Agents SERPINB1, ELANE, MMP8 KMT2A 4537/4885MEN1 1531/4885TAS1R3 4877/4885

“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.