SCHEMBL7780

SCHEMBL7780

CC(C)(C)OC(=O)NCCCN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.46
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
CA14 Q9ULX7 1/20 0.41
LPL P06858 4/20 0.39
LIPG Q9Y5X9 4/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA9 Q16790 2/20 0.38
BACE1 P56817 1/20 0.38
BACE2 Q9Y5Z0 1/20 0.38
F2 P00734 1/20 0.37
F11 P03951 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 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
SCHEMBL12062380 0.86 LPL (0.51) AAK1PRMT5WDR77LPLLIPG
SCHEMBL16947897 0.85 LPL (0.51) AAK1PRMT5WDR77LPLLIPG
SCHEMBL22767308 0.84 LPL (0.53) AAK1PRMT5WDR77LPLLIPG
SCHEMBL4564357 0.82 AAK1 (0.43) AAK1PRMT5WDR77LPLLIPG
SCHEMBL13237 0.81 CA14 (0.47) CA14HDAC3HDAC1HDAC2NCOR2
SCHEMBL22175713 0.81 CA14 (0.47) CA14HDAC3HDAC1HDAC2NCOR2
SCHEMBL17951342 0.81 AAK1 (0.42) AAK1PRMT5WDR77CA1CA2
SCHEMBL1141383 0.81 CA2 (0.55) AAK1PRMT5WDR77LPLLIPG
SCHEMBL27635300 0.81 F2 (0.46) AAK1LPLLIPGHDAC3HDAC1
SCHEMBL14315410 0.80 AAK1 (0.47) AAK1PRMT5WDR77TDP1CA1

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
EP-3406613-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME Melinta Therapeutics, Inc. (US) 2018-11-28 EP disclosed
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2016-02-04 US disclosed
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-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
WO-2012173689-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2012-12-20 WO disclosed
US-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-30 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
EP-2488525-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME Rib-X Pharmaceuticals, Inc. (US) 2012-08-22 EP disclosed
WO-2011047319-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2011-04-21 WO 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 AAK1 4003/4885PRMT5 1761/4885WDR77 3385/4885
US-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT AAK1 4003/4885PRMT5 1761/4885WDR77 3385/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT AAK1 4003/4885PRMT5 1761/4885WDR77 3385/4885

“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.