SCHEMBL1114775

SCHEMBL1114775

O=C(O)CCNC(=O)c1cc(Cl)ccc1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.68
TDP1 Q9NUW8 2/20 0.60
KCNMA1 Q12791 2/20 0.58
TMPRSS4 Q9NRS4 4/20 0.55
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
P2RX1 P51575 6/20 0.54
PTGS1 P23219 1/20 0.53
P2RX4 Q99571 3/20 0.53
P2RX7 Q99572 3/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NME4 O00746 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
CHRM1 P11229 1/20 0.51
ADORA2A P29274 1/20 0.51
AVPR2 P30518 1/20 0.51
AGTR1 P30556 1/20 0.51
SLC6A4 P31645 1/20 0.51
AVPR1A P37288 1/20 0.51

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
SCHEMBL2330956 0.91 CDK1 (0.74) CDK1TDP1KCNMA1TMPRSS4CA1
SCHEMBL4622847 0.90 CDK1 (0.72) CDK1TDP1KCNMA1TMPRSS4CA1
SCHEMBL446310 0.88 CDK1 (0.70) CDK1TDP1KCNMA1TMPRSS4CA1
SCHEMBL29383677 0.88 CDK1 (0.70) CDK1TDP1KCNMA1TMPRSS4CA1
SCHEMBL14567055 0.88 CDK1 (0.70) CDK1TDP1KCNMA1TMPRSS4CA1
SCHEMBL5497301 0.87 CDK1 (0.68) CDK1TDP1KCNMA1TMPRSS4CA1
SCHEMBL2330852 0.87 CDK1 (0.68) CDK1TDP1KCNMA1TMPRSS4CA1
Bicarbonate SCHEMBL7615699 0.86 CDK1 (0.67) CDK1TDP1KCNMA1TMPRSS4CA1
Bicarbonate SCHEMBL7615694 0.86 CDK1 (0.67) CDK1TDP1KCNMA1TMPRSS4CA1
SCHEMBL8980687 0.84 CDK1 (0.82) CDK1TDP1KCNMA1TMPRSS4CA1

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
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
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
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
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 CDK1 2645/4885TDP1 2710/4885KCNMA1 4705/4885

“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.