SCHEMBL603316

SCHEMBL603316

CC(C)(C)OC(=O)NC1CCC(CO)OC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.46
KDM1A O60341 1/20 0.43
MAOB P27338 1/20 0.43
CTSK P43235 2/20 0.43
GAA P10253 2/20 0.41
EPHX1 P07099 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DRD2 P14416 2/20 0.39
EPHX2 P34913 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
SCHEMBL30642259 1.00 BTK (0.46) BTKKDM1AMAOBCTSKGAA
SCHEMBL12528145 1.00 BTK (0.46) BTKKDM1AMAOBCTSKGAA
SCHEMBL4778890 1.00 BTK (0.46) BTKKDM1AMAOBCTSKGAA
SCHEMBL30772643 1.00 BTK (0.46) BTKKDM1AMAOBCTSKGAA
SCHEMBL19898629 1.00 BTK (0.46) BTKKDM1AMAOBCTSKGAA
SCHEMBL603315 1.00 BTK (0.46) BTKKDM1AMAOBCTSKGAA
SCHEMBL12527248 0.88 BTK (0.43) BTKKDM1AMAOBCTSKGAA
SCHEMBL9885693 0.88 BTK (0.43) BTKKDM1AMAOBCTSKGAA
SCHEMBL12527395 0.88 BTK (0.46) BTKKDM1AMAOBCTSKGAA
SCHEMBL22623131 0.87 BTK (0.40) BTKKDM1AMAOBCTSKGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3390384-B1 QUINOLINE-3-CARBOXAMIDES AS H-PGDS INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2021-09-15 EP disclosed
US-20210238162-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-08-05 US disclosed
US-11020398-B2 Amino-pyrrolopyrimidinone compounds and methods of use thereof ARQULE, INC. (US) 2021-06-01 US disclosed
US-20180055846-A1 AMINO-PYRROLOPYRIMIDINONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. 2018-03-01 US disclosed
WO-2017103851-A1 QUINOLINE-3-CARBOXAMIDES AS H-PGDS INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2017-06-22 WO disclosed
US-8563714-B2 Bridged spiro [2.4] heptane derivatives as ALX receptor and/or FPRL2 agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-10-22 US disclosed
EP-2417141-B1 2-HYDROXYETHYL-1H-QUINOLIN-2-ONE DERIVATIVES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY ACTELION PHARMACEUTICALS LTD (CH) 2013-10-16 EP disclosed
EP-2432760-B1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-07-17 EP disclosed
US-8415375-B2 2-hydroxyethyl-1H-quinolin-2-one derivatives and their azaisosteric analogues with antibacterial activity ACTELION PHARMACEUTICALS LTD. (CH) 2013-04-09 US disclosed
US-8193179-B2 3-amino-6-(1-amino-ethyl)-tetrahydropyran derivatives ACTELION PHARMACEUTICALS, LTD (CH) 2012-06-05 US disclosed
EP-2167494-B1 3-AMINO-6-(1-AMINO-ETHYL)-TETRAHYDROPYRAN DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2011-08-17 EP disclosed
EP-2167494-B1 3-AMINO-6-(1-AMINO-ETHYL)-TETRAHYDROPYRAN DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2011-08-17 EP disclosed
US-7981886-B2 Antibiotics derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2011-07-19 US disclosed
US-20100179135-A1 3-AMINO-6-(1-AMINO-ETHYL)-TETRAHYDROPYRAN DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-15 US disclosed
US-20100179135-A1 3-AMINO-6-(1-AMINO-ETHYL)-TETRAHYDROPYRAN DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-15 US disclosed
US-20100179135-A1 3-AMINO-6-(1-AMINO-ETHYL)-TETRAHYDROPYRAN DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-15 US disclosed
WO-2008152603-A1 3-AMINO-6-(1-AMINO-ETHYL)-TETRAHYDROPYRAN DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-12-18 WO disclosed
EP-1996579-A2 ANTIBIOTIC COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2008-12-03 EP disclosed
US-20080280888-A1 Antibiotics Derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-11-13 US disclosed
WO-2007105154-A2 ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2007-09-20 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 (5 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-20080280888-A1 Antibiotics Derivatives NR4A1, NR2C2, NR4A3 BTK 1795/4885KDM1A 1522/4885MAOB 1079/4885
US-11020398-B2 Amino-pyrrolopyrimidinone compounds and methods of use thereof BTK, SYK, LCK BTK 1/4885KDM1A 1485/4885MAOB 1170/4885
US-20100179135-A1 3-AMINO-6-(1-AMINO-ETHYL)-TETRAHYDROPYRAN DERIVATIVES ELANE, AAAS, DNPEP BTK 3316/4885KDM1A 4344/4885MAOB 3079/4885
US-20210238162-A1 CHEMICAL COMPOUNDS HPGDS, PTGS1, PTGIS BTK 4035/4885KDM1A 880/4885MAOB 394/4885
US-20180055846-A1 AMINO-PYRROLOPYRIMIDINONE COMPOUNDS AND METHODS OF USE THEREOF BTK, SYK, LCK BTK 1/4885KDM1A 1485/4885MAOB 1170/4885

“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.