SCHEMBL388244

SCHEMBL388244

O=C(CCCCCCCCCCNCCO)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
EPHX2 P34913 1/20 0.42
FABP5 Q01469 3/20 0.41
FABP7 O15540 2/20 0.41
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39
LTA4H P09960 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38

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
SCHEMBL4947412 0.89 KMT2A (0.57) KMT2AEPHX2LTA4H
SCHEMBL14759878 0.87 KMT2A (0.60) KMT2AEPHX2FABP5FABP7
SCHEMBL307643 0.86 KMT2A (0.57) KMT2AEPHX2FABP5FABP7ALDH1A1
SCHEMBL16476528 0.84 KMT2A (0.51) KMT2AEPHX2FABP5FABP7
SCHEMBL4951870 0.83 KMT2A (0.51) KMT2AEPHX2
SCHEMBL3623157 0.82 KMT2A (0.55) KMT2AEPHX2FABP5FABP7
SCHEMBL5148061 0.81 KMT2A (0.70) KMT2AEPHX2FABP5FABP7ALDH1A1
SCHEMBL5972005 0.81 KMT2A (0.70) KMT2AEPHX2FABP5FABP7HDAC3
SCHEMBL2401694 0.81 KMT2A (0.70) KMT2AEPHX2FABP5FABP7HDAC3
SCHEMBL10261416 0.81 KMT2A (0.55) KMT2AEPHX2FABP5FABP7

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859506-B2 Glycopeptide phosphonate derivatives THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC (US) 2014-10-14 US disclosed
US-20140024604-A1 GLYCOPEPTIDE PHOSPHONATE DERIVATIVES THERAVANCE, INC. (US) 2014-01-23 US disclosed
US-8541375-B2 Glycopeptide phosphonate derivatives THERAVANCE, INC. (US) 2013-09-24 US disclosed
US-20120283195-A1 GLYCOPEPTIDE PHOSPHONATE DERIVATIVES THERAVANCE, INC. (US) 2012-11-08 US disclosed
US-8101575-B2 Glycopeptide phosphonate derivatives THERAVANCE, INC. (US) 2012-01-24 US disclosed
US-20110257364-A1 PROCESS FOR PURIFYING GLYCOPEPTIDE PHOSPHONATE DERIVATIVES THERAVANCE, INC. (US) 2011-10-20 US disclosed
US-7858583-B2 Process for purifying glycopeptide phosphonate derivatives THERAVANCE, INC. (US) 2010-12-28 US disclosed
US-20100160211-A1 GLYCOPEPTIDE PHOSPHONATE DERIVATIVES THERAVANCE, INC. (US) 2010-06-24 US disclosed
US-7700550-B2 Telavancin or its hydrochloride salt for infection, including MRSA infections; reduced tissue accumulation and/or nephrotoxicity THERAVANCE, INC. (US) 2010-04-20 US disclosed
US-20090215673-A1 PROCESS FOR PURIFYING GLYCOPEPTIDE PHOSPHONATE DERIVATIVES CUMBERLAND PHARMACEUTICALS INC. 2009-08-27 US disclosed
US-20050164916-A1 highly effective antibacterial activity and an improved mammalian safety profile; exhibit reduced tissue accumulation and/or nephrotoxicity when administered to mammals CUMBERLAND PHARMACEUTICALS INC. 2005-07-28 US disclosed
US-6887976-B2 Improved mammalian safety profile; glycopeptide phosphonate derivatives of invention unexpectedly exhibit reduced tissue accumulation and/or nephrotoxicity when administered to mammal; antibacterial agents THERAVANCE, INC. (US) 2005-05-03 US disclosed
US-6872701-B2 Glycopeptides that are substituted with one or more substituents each comprising one or more phosphono groups; and pharmaceutical compositions containing such glycopeptide derivatives. The disclosed glycopeptide derivatives are useful THERAVANCE, INC. (US) 2005-03-29 US disclosed
EP-1487863-A2 PROCESS FOR PURIFYING GLYCOPEPTIDE PHOSPOHONATE DERIVATIVES Theravance, Inc. (US) 2004-12-22 EP disclosed
US-20040063916-A1 Bactericides; antibiotics CUMBERLAND PHARMACEUTICALS INC. 2004-04-01 US disclosed
US-20030207797-A1 Glycopeptides that are substituted with one or more substituents each comprising one or more phosphono groups; and pharmaceutical compositions containing such glycopeptide derivatives. The disclosed glycopeptide derivatives are useful CUMBERLAND PHARMACEUTICALS INC. 2003-11-06 US disclosed
US-6635618-B2 Glycopeptide phosphonate derivatives THERAVANCE, INC. 2003-10-21 US disclosed
US-20030119722-A1 Process for purifying glycopeptide phosphonate derivatives CUMBERLAND PHARMACEUTICALS INC. 2003-06-26 US disclosed
WO-2003018608-A2 PROCESS FOR PURIFYING GLYCOPEPTIDE PHOSPHONATE DERIVATIVES THERAVANCE, INC. (US) 2003-03-06 WO disclosed
US-20020022590-A1 Useful as antibiotics; reduced tissue accumulation and/or nephrotoxicity when administered to a mammal; useful against vancomycin-resistant microorganisms CUMBERLAND PHARMACEUTICALS INC. 2002-02-21 US 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 (10 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-20140024604-A1 GLYCOPEPTIDE PHOSPHONATE DERIVATIVES PAG1, PGLS, PTMS KMT2A 4796/4885EPHX2 4691/4885FABP5 2120/4885
US-20090215673-A1 PROCESS FOR PURIFYING GLYCOPEPTIDE PHOSPHONATE DERIVATIVES PGLS, GYPA, PAG1 KMT2A 4074/4885EPHX2 4167/4885FABP5 2347/4885
US-20100160211-A1 GLYCOPEPTIDE PHOSPHONATE DERIVATIVES PAG1, PGLS, PTMS KMT2A 4796/4885EPHX2 4691/4885FABP5 2120/4885
US-20030119722-A1 Process for purifying glycopeptide phosphonate derivatives PGLS, GYPA, PAG1 KMT2A 4074/4885EPHX2 4167/4885FABP5 2347/4885
US-20120283195-A1 GLYCOPEPTIDE PHOSPHONATE DERIVATIVES PAG1, PGLS, PTMS KMT2A 4796/4885EPHX2 4691/4885FABP5 2120/4885
US-20110257364-A1 PROCESS FOR PURIFYING GLYCOPEPTIDE PHOSPHONATE DERIVATIVES PGLS, GYPA, PAG1 KMT2A 4074/4885EPHX2 4167/4885FABP5 2347/4885
US-20020022590-A1 Useful as antibiotics; reduced tissue accumulation and/or nephrotoxicity when administered to a mammal; useful against vancomycin-resistant microorganisms GLS, PIGS, PAG1 KMT2A 4773/4885EPHX2 4555/4885FABP5 1107/4885
US-20050164916-A1 highly effective antibacterial activity and an improved mammalian safety profile; exhibit reduced tissue accumulation and/or nephrotoxicity when administered to mammals GLS, PAG1, FUT6 KMT2A 4765/4885EPHX2 4469/4885FABP5 1940/4885
US-20030207797-A1 Glycopeptides that are substituted with one or more substituents each comprising one or more phosphono groups; and pharmaceutical compositions containing such glycopeptide derivatives. The disclosed glycopeptide derivatives are useful PAG1, PTMS, B3GAT3 KMT2A 4794/4885EPHX2 4175/4885FABP5 2221/4885
US-20040063916-A1 Bactericides; antibiotics PGLS, PAG1, BPGM KMT2A 4885/4885EPHX2 4464/4885FABP5 503/4885

“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.