SCHEMBL3377830

SCHEMBL3377830

COc1ccc2ncc(F)c(C(O)C(O)c3ccccc3)c2n1

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 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
SCHEMBL4226513 0.79 KCNH2 (0.42) KCNH2
SCHEMBL2291676 0.79 KCNH2 (0.48) KCNH2
SCHEMBL1723454 0.79 KCNH2 (0.48) KCNH2
SCHEMBL3550756 0.78 KCNH2 (0.44) KCNH2
SCHEMBL1147498 0.77 KCNH2 (0.43) KCNH2
SCHEMBL3377596 0.75 KCNH2 (0.43) KCNH2
SCHEMBL3377599 0.75 KCNH2 (0.43) KCNH2
SCHEMBL3377605 0.75 KCNH2 (0.43) KCNH2
SCHEMBL4779781 0.75 KCNH2 (0.43) KCNH2
SCHEMBL3544996 0.75 KCNH2 (0.42) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012040321-A3 METHODS AND APPARATUS FOR EHNANCED GAS DISTRIBUTION GRUPO PETROTEMEX, S.A. DE C.V. (MX) 2012-05-10 WO disclosed
EP-1981881-B1 TETRAHYDROPYRANE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2011-12-07 EP disclosed
EP-1987040-B1 ETHANOL OR 1,2-ETHANEDIOL CYCLOHEXYL ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-11-10 EP disclosed
US-7820655-B2 Ethanol or 1,2-ethanediol cyclohexyl antibiotic derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2010-10-26 US disclosed
US-20090005368-A1 such as 6-({trans-4-[(1R)-1-hydroxy-2-(3-methoxy-quinolin-5-yl)-ethyl]-cyclohexylamino}-methyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one for treating infections from Streptococcus pneumoniae, Haemophilus influenzae, Moraxella, Staphylococcus, Enterococcus ACTELION PHARMACEUTICALS LTD. (CH) 2009-01-01 US disclosed
EP-1996579-A2 ANTIBIOTIC COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2008-12-03 EP disclosed
EP-1987040-A1 ETHANOL OR 1,2-ETHANEDIOL CYCLOHEXYL ANTIBIOTIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-11-05 EP disclosed
EP-1981881-A1 TETRAHYDROPYRANE ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2008-10-22 EP disclosed
WO-2007105154-A2 ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2007-09-20 WO disclosed
WO-2007093963-A1 ETHANOL OR 1,2-ETHANEDIOL CYCLOHEXYL ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2007-08-23 WO disclosed
WO-2007086016-A1 TETRAHYDROPYRANE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2007-08-02 WO disclosed
EP-1799676-A2 NEW BICYCLIC ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2007-06-27 EP disclosed
WO-2006032466-A2 NEW BICYCLIC ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2006-03-30 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-20090005368-A1 such as 6-({trans-4-[(1R)-1-hydroxy-2-(3-methoxy-quinolin-5-yl)-ethyl]-cyclohexylamino}-methyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one for treating infections from Streptococcus pneumoniae, Haemophilus influenzae, Moraxella, Staphylococcus, Enterococcus RBPJ, RXRA, MRPL21 KCNH2 1821/4885

“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.