SCHEMBL1290160

SCHEMBL1290160

CC(C)(C)OC(=O)N(F)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.44
F11 P03951 3/20 0.44
F2 P00734 2/20 0.44
PRSS1 P07477 2/20 0.44
PRSS2 P07478 2/20 0.44
PRSS3 P35030 2/20 0.44
LPL P06858 6/20 0.43
LIPG Q9Y5X9 6/20 0.43
BACE1 P56817 1/20 0.43
BACE2 Q9Y5Z0 1/20 0.43
USP30 Q70CQ3 1/20 0.40
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
DGAT1 O75907 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 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
SCHEMBL15092257 0.88 LIPG (0.48) AAK1F11F2PRSS1PRSS2
SCHEMBL12170334 0.86 AAK1 (0.45) AAK1F11F2PRSS1PRSS2
SCHEMBL3490530 0.86 LIPG (0.45) AAK1F11F2PRSS1PRSS2
SCHEMBL2699078 0.85 AAK1 (0.44) AAK1F11F2PRSS1PRSS2
SCHEMBL1290119 0.83 LIPG (0.51) F11F2PRSS1PRSS2PRSS3
SCHEMBL18204544 0.81 BACE1 (0.45) AAK1F11F2PRSS1PRSS2
SCHEMBL23027967 0.80 AAK1 (0.41) AAK1F11F2PRSS1PRSS2
SCHEMBL4564357 0.80 AAK1 (0.43) AAK1F11F2PRSS1PRSS2
SCHEMBL12062380 0.80 LPL (0.51) AAK1F11F2PRSS1PRSS2
SCHEMBL15272916 0.80 LIPG (0.50) F11F2PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3476844-A1 ANTIMICROBIAL 4-OXOQUINOLIZINES Emergent Product Development Gaithersburg Inc. (US) 2019-05-01 EP disclosed
US-20190105367-A1 ANTIMICROBIAL 4-OXOQUINOLIZINES EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG INC. (US) 2019-04-11 US disclosed
US-10155021-B2 Antimicrobial 4-oxoquinolizines EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG INC. (US) 2018-12-18 US disclosed
US-20180296555-A1 2-PYRIDONE ANTIMICROBIAL COMPOSITIONS EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG INC. 2018-10-18 US disclosed
EP-2621491-B1 2-PYRIDONE ANTIMICROBIAL COMPOSITIONS EMERGENT PRODUCT DEV GAITHERSBURG INC (US) 2018-08-29 EP disclosed
EP-2822559-B1 IMIDAZO[1,2-B]PYRIDAZINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND USES THEREOF LEXICON PHARMACEUTICALS INC (US) 2018-05-02 EP disclosed
EP-3312176-A1 ANTIMICROBIAL 4-OXOQUINOLIZINES Emergent Product Development Gaithersburg Inc. (US) 2018-04-25 EP disclosed
EP-2670410-B1 ANTIMICROBIAL 4-OXOQUINOLIZINES EMERGENT PRODUCT DEV GAITHERSBURG INC (US) 2017-12-20 EP disclosed
US-20170232060-A9 ANTIMICROBIAL 4-OXOQUINOLIZINES EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG INC. 2017-08-17 US disclosed
US-20170209437-A1 2-PYRIDONE ANTIMICROBIAL COMPOSITIONS EVOLVA SA (CH) 2017-07-27 US disclosed
US-20150141435-A1 2-PYRIDONE ANTIMICROBIAL COMPOSITIONS EMERGENT PRODUCT DEVELOPMENT GAITHERSBURG INC. 2015-05-21 US disclosed
US-8969565-B2 Imidazo[1,2-b]pyridazine-based compounds, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2015-03-03 US disclosed
US-8962842-B2 2-pyridone antimicrobial compositions EVOLVA SA (CH) 2015-02-24 US disclosed
EP-2822559-A1 IMIDAZO [1, 2 - B]PYRIDAZINE - BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND USES THEREOF Lexicon Pharmaceuticals, Inc. (US) 2015-01-14 EP disclosed
US-20130252882-A1 ANTIMICROBIAL 4-OXOQUINOLIZINES EVOLVA SA (CH) 2013-09-26 US disclosed
US-20130245035-A1 2-PYRIDONE ANTIMICROBIAL COMPOSITIONS EVOLVA SA (CH) 2013-09-19 US disclosed
US-20130245021-A1 IMIDAZO[1,2-b]PYRIDAZINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2013-09-19 US disclosed
WO-2013134219-A1 IMIDAZO [1, 2 - B] PYRIDAZINE - BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND USES THEREOF LEXICON PHARMACEUTICALS, INC. (US) 2013-09-12 WO disclosed
EP-2621491-A1 2-PYRIDONE ANTIMICROBIAL COMPOSITIONS Evolva SA (CH) 2013-08-07 EP disclosed
WO-2012047487-A1 2-PYRIDONE ANTIMICROBIAL COMPOSITIONS EVOLVA SA (CH) 2012-04-12 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 (9 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-20190105367-A1 ANTIMICROBIAL 4-OXOQUINOLIZINES CUL4A, DCAF15, CUL4B AAK1 3859/4885F11 4199/4885F2 3670/4885
US-10155021-B2 Antimicrobial 4-oxoquinolizines DCAF15, CUL4A, CUL4B AAK1 3732/4885F11 4269/4885F2 3800/4885
US-20180296555-A1 2-PYRIDONE ANTIMICROBIAL COMPOSITIONS TOP2A, TOP1, TOP2B AAK1 2182/4885F11 2721/4885F2 1079/4885
US-20170232060-A9 ANTIMICROBIAL 4-OXOQUINOLIZINES CUL4A, DCAF15, CUL4B AAK1 3859/4885F11 4199/4885F2 3670/4885
US-20150141435-A1 2-PYRIDONE ANTIMICROBIAL COMPOSITIONS TOP2A, TOP1, TOP2B AAK1 2182/4885F11 2721/4885F2 1079/4885
US-20130245021-A1 IMIDAZO[1,2-b]PYRIDAZINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE IRAK2, IRAK1, GRB2 AAK1 31/4885F11 4692/4885F2 4673/4885
US-20130252882-A1 ANTIMICROBIAL 4-OXOQUINOLIZINES CUL4A, DCAF15, CUL4B AAK1 3859/4885F11 4199/4885F2 3670/4885
US-20130245035-A1 2-PYRIDONE ANTIMICROBIAL COMPOSITIONS TOP2A, TOP1, TOP2B AAK1 2115/4885F11 3571/4885F2 2029/4885
US-20170209437-A1 2-PYRIDONE ANTIMICROBIAL COMPOSITIONS TOP2A, TOP1, TOP2B AAK1 2182/4885F11 2721/4885F2 1079/4885

“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.