SCHEMBL1115005

SCHEMBL1115005

CC(CC(=O)O)NC(=O)c1ccc(Cl)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
PKM P14618 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
ALDH1A1 P00352 4/20 0.48
CYP26A1 O43174 2/20 0.46
KLKB1 P03952 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
ALOX15 P16050 1/20 0.43
P2RX1 P51575 1/20 0.43
P2RX4 Q99571 1/20 0.43
P2RX7 Q99572 1/20 0.43
TMPRSS4 Q9NRS4 1/20 0.43
PLAU P00749 2/20 0.42
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
PLG P00747 1/20 0.42
PLAT P00750 1/20 0.42
CTSL P07711 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
SCHEMBL1114777 0.89 KCNMA1 (0.54) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1114977 0.81 KMT2A (0.68) ALDH1A1KLKB1MEN1KMT2AALOX15
SCHEMBL1114965 0.79 KDM4E (0.62) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1114998 0.77 AKR1C4 (0.50) RXFP1ALDH1A1MAPK1POLB
SCHEMBL12679754 0.77 ALOX5 (0.48) KDM4EALDH1A1MEN1KMT2AP2RX1
SCHEMBL1115050 0.75 CSNK2A1 (0.51) KDM4EALDH1A1CYP26A1MEN1KMT2A
SCHEMBL1114934 0.74 GAA (0.52) KDM4ERXFP1ALDH1A1MEN1KMT2A
SCHEMBL3814303 0.73 P2RX1 (0.53) KDM4EALDH1A1KLKB1ALOX15P2RX1
SCHEMBL6765972 0.73 MAPT (0.70) KDM4EPKMALDH1A1KLKB1MEN1
SCHEMBL1114951 0.72 MEN1 (0.55) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2

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 12 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
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
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 KDM4E 4605/4885PKM 2739/4885RXFP1 2091/4885

“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.