SCHEMBL1114875

SCHEMBL1114875

CC(CC(=O)O)NC(=O)c1cc(C(C)C)cc(C(C)C)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GABRA1 P14867 2/20 0.42
GABRB2 P47870 1/20 0.42
FABP3 P05413 2/20 0.41
FABP4 P15090 2/20 0.41
BCL2 P10415 2/20 0.41
CYP26A1 O43174 3/20 0.41
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
EGLN2 Q96KS0 3/20 0.35

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
SCHEMBL6342231 0.77 GABRA1 (0.52) GAAKMT2AMEN1LMNAMAPT
SCHEMBL18646370 0.77 GAA (0.50) GAAKMT2AMEN1LMNAMAPT
SCHEMBL212716 0.75 FABP3 (0.60) GAAKMT2AMEN1LMNAMAPT
SCHEMBL29593831 0.75 FABP3 (0.60) GAAKMT2AMEN1LMNAMAPT
SCHEMBL18613881 0.74 KMT2A (0.48) GAAKMT2AMEN1LMNAMAPT
SCHEMBL10618114 0.74 FABP3 (0.58) GAAKMT2AMEN1LMNAMAPT
Benzene SCHEMBL9253514 0.74 FABP3 (0.58) GAAKMT2AMEN1LMNAMAPT
SCHEMBL6910525 0.74 FABP3 (0.58) GAAKMT2AMEN1LMNAMAPT
SCHEMBL11797932 0.74 FABP3 (0.58) GAAKMT2AMEN1LMNAMAPT
SCHEMBL11783529 0.74 FABP3 (0.58) GAAKMT2AMEN1LMNAMAPT

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 15 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
EP-2635567-A1 INDOLE DERIVATIVES Richter Gedeon Nyrt. (HU) 2013-09-11 EP disclosed
CN-1964939-B Compounds and compositions for delivering active agents EMISPHERE TECH INC 2012-11-28 CN 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
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
WO-2012059776-A1 INDOLE DERIVATIVES RICHTER GEDEON NYRT. (HU) 2012-05-10 WO disclosed
JP-2011236230-A COMPOUND AND COMPOSITION FOR DELIVERING ACTIVE AGENT EMISPHERE TECHNOLGIES INC 2011-11-24 JP 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
CN-1964939-A Compounds and compositions for delivering active agents EMISPHERE TECH INC (US) 2007-05-16 CN 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 GAA 75/4885KMT2A 4537/4885MEN1 1531/4885

“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.