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SCHEMBL14328

SCHEMBL14328

CC(C)(C)OC(=O)NCCCN(Cc1ccc(B(O)O)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA14 Q9ULX7 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.43
▸ HDAC3 O15379 2/20 0.42
▸ HDAC1 Q13547 2/20 0.42
▸ HDAC2 Q92769 2/20 0.42
▸ NCOR2 Q9Y618 2/20 0.42
▸ CA1 P00915 6/20 0.40
▸ CA2 P00918 6/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CA12 O43570 4/20 0.38
▸ CA9 Q16790 4/20 0.38
▸ TRPV1 Q8NER1 3/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ NAMPT P43490 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ CTSL P07711 1/20 0.37
▸ CTSB P07858 1/20 0.37
▸ CTSS P25774 1/20 0.37

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
SCHEMBL13237 0.86 CA14 (0.47) CA14TDP1HDAC3HDAC1HDAC2
SCHEMBL22175713 0.86 CA14 (0.47) CA14TDP1HDAC3HDAC1HDAC2
SCHEMBL12062388 0.84 CA1 (0.48) HDAC3HDAC1HDAC2NCOR2CA1
SCHEMBL13528048 0.83 HDAC3 (0.40) CA14HDAC3HDAC1HDAC2NCOR2
SCHEMBL22175708 0.83 FNTA (0.45) CA14TDP1HDAC3HDAC1HDAC2
SCHEMBL8630273 0.82 HDAC3 (0.52) CA14TDP1HDAC3HDAC1HDAC2
SCHEMBL9295960 0.82 HDAC1 (0.47) HDAC3HDAC1HDAC2NCOR2CA1
SCHEMBL8647499 0.81 HDAC3 (0.53) CA14TDP1HDAC3HDAC1HDAC2
SCHEMBL13180767 0.79 HDAC3 (0.46) HDAC3HDAC1HDAC2NCOR2CA1
SCHEMBL7780 0.79 AAK1 (0.46) CA14TDP1HDAC3HDAC1HDAC2

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
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2016-02-04 — — US disclosed
US-9221827-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-12-29 — — US disclosed
US-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 — — US disclosed
US-20140163049-A1 Antimicrobial Compounds and Methods of Making and Using the Same MELINTA THERAPEUTICS, INC. (US) 2014-06-12 — — US disclosed
US-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-30 — — US disclosed
WO-2011047319-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2011-04-21 — — 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 (3 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-20140163049-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT CA14 3081/4885TDP1 2438/4885HDAC3 2555/4885
US-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT CA14 3081/4885TDP1 2438/4885HDAC3 2555/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT CA14 3081/4885TDP1 2438/4885HDAC3 2555/4885

“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.