SCHEMBL3815366

SCHEMBL3815366

O=C(O)CCOCCOCCOc1cc2c(=O)c(C(=O)O)c[nH]c2cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 7/20 0.51
PRKAG1 P54619 7/20 0.51
PRKAA2 P54646 7/20 0.51
PRKAA1 Q13131 7/20 0.51
PRKAG3 Q9UGI9 7/20 0.51
PRKAG2 Q9UGJ0 7/20 0.51
PRKAB1 Q9Y478 7/20 0.51
MDH2 P40926 2/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL3810852 0.82 PRKAB2 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL5191098 0.81 HTT (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6276116 0.77 CSNK2A2 (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4963341 0.74 HTT (0.46) MDH2HTTALDH1A1HPGDSMN1; SMN2
SCHEMBL3812486 0.73 GABRA1 (0.53) HTT
SCHEMBL3810534 0.73 KDM4E (0.44) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL13799059 0.73 KDM4E (0.43) HTTALDH1A1HPGDSMN1; SMN2
SCHEMBL335129 0.73 KDM4E (0.43) HTTALDH1A1HPGDSMN1; SMN2
SCHEMBL5163027 0.72 HTT (0.49) MDH2HTTALDH1A1HPGDSMN1; SMN2
SCHEMBL4960099 0.72 HTT (0.39) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756135-B1 ESTER LINKED MACROLIDES USEFUL FOR THE TREATMENT OF MICROBIAL INFECTIONS GLAXOSMITHKLINE ZAGREB (HR) 2009-08-12 EP disclosed
US-20080255060-A1 Ester Linked Macrolides Useful For The Treatment of Microbial Infections GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB (HR) 2008-10-16 US disclosed
US-20080255060-A1 Ester Linked Macrolides Useful For The Treatment of Microbial Infections GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB (HR) 2008-10-16 US disclosed
US-20080255060-A1 Ester Linked Macrolides Useful For The Treatment of Microbial Infections GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB (HR) 2008-10-16 US disclosed
EP-1756135-A1 ESTER LINKED MACROLIDES USEFUL FOR THE TREATMENT OF MICROBIAL INFECTIONS GlaxoSmithKline istrazivacki centar Zagreb d.o.o. (HR) 2007-02-28 EP disclosed
WO-2005108412-A1 ESTER LINKED MACROLIDES USEFUL FOR THE TREATMENT OF MICROBIAL INFECTIONS GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (US) 2005-11-17 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-20080255060-A1 Ester Linked Macrolides Useful For The Treatment of Microbial Infections CYP51A1, TLR5, MALT1 PRKAB2 4289/4885PRKAG1 4275/4885PRKAA2 4501/4885

“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.