SCHEMBL12479210

SCHEMBL12479210

Cc1ccc(Br)cc1C1=C(O)C2(CCC(F)(F)CC2)NC1=O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 11/20 0.51
ACACA Q13085 11/20 0.51
BACE1 P56817 1/20 0.37
TGM2 P21980 1/20 0.35
CES1 P23141 1/20 0.35
BIRC5 O15392 1/20 0.34
AGTR1 P30556 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
RET P07949 1/20 0.32

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
SCHEMBL2351711 0.88 ACACB (0.50) ACACBACACATGM2CES1BIRC5
SCHEMBL2354577 0.86 ACACB (0.49) ACACBACACATGM2CES1BIRC5
SCHEMBL2351690 0.86 ACACB (0.54) ACACBACACATGM2CES1BIRC5
SCHEMBL14690112 0.86 ACACB (0.54) ACACBACACATGM2CES1BIRC5
SCHEMBL14700628 0.86 ACACB (0.54) ACACBACACATGM2CES1BIRC5
SCHEMBL12456909 0.86 ACACB (0.49) ACACBACACATGM2CES1BIRC5
SCHEMBL14689611 0.84 ACACB (0.53) ACACBACACATGM2CES1BIRC5
SCHEMBL12458437 0.84 ACACB (0.53) ACACBACACATGM2CES1BIRC5
SCHEMBL14689609 0.84 ACACB (0.53) ACACBACACATGM2CES1BIRC5
SCHEMBL14689464 0.84 ACACB (0.50) ACACBACACATGM2CES1BIRC5

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9000026-B2 Substituted 3-(biphenyl-3-yl)-8,8-difluoro-4-hydroxy-1-azaspiro[4.5]dec-3-en-2-ones for therapy BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-07 US disclosed
US-9000026-B2 Substituted 3-(biphenyl-3-yl)-8,8-difluoro-4-hydroxy-1-azaspiro[4.5]dec-3-en-2-ones for therapy BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-07 US disclosed
US-9000026-B2 Substituted 3-(biphenyl-3-yl)-8,8-difluoro-4-hydroxy-1-azaspiro[4.5]dec-3-en-2-ones for therapy BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-07 US disclosed
US-8946124-B2 Substituted 3-(biphenyl-3-yl)-8,8-difluoro-4-hydroxy-1-azaspiro[4.5]dec-3-en-2-ones for therapy and halogen-substituted spirocyclic ketoenols BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-02-03 US disclosed
US-8946124-B2 Substituted 3-(biphenyl-3-yl)-8,8-difluoro-4-hydroxy-1-azaspiro[4.5]dec-3-en-2-ones for therapy and halogen-substituted spirocyclic ketoenols BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-02-03 US disclosed
US-8946124-B2 Substituted 3-(biphenyl-3-yl)-8,8-difluoro-4-hydroxy-1-azaspiro[4.5]dec-3-en-2-ones for therapy and halogen-substituted spirocyclic ketoenols BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-02-03 US disclosed
US-20140045696-A1 SUBSTITUTED 3-(BIPHENYL-3-YL)-8,8-DIFLUORO-4-HYDROXY-1-AZASPIRO[4.5]DEC-3-EN-2-ONES FOR THERAPY AND HALOGEN-SUBSTITUTED SPIROCYCLIC KETOENOLS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-13 US disclosed
US-20140045696-A1 SUBSTITUTED 3-(BIPHENYL-3-YL)-8,8-DIFLUORO-4-HYDROXY-1-AZASPIRO[4.5]DEC-3-EN-2-ONES FOR THERAPY AND HALOGEN-SUBSTITUTED SPIROCYCLIC KETOENOLS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-13 US disclosed
US-20140045696-A1 SUBSTITUTED 3-(BIPHENYL-3-YL)-8,8-DIFLUORO-4-HYDROXY-1-AZASPIRO[4.5]DEC-3-EN-2-ONES FOR THERAPY AND HALOGEN-SUBSTITUTED SPIROCYCLIC KETOENOLS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-13 US disclosed
US-20140011853-A1 SUBSTITUTED 3-(BIPHENYL-3-YL)-8,8-DIFLUORO-4-HYDROXY-1-AZASPIRO[4.5]DEC-3-EN-2-ONES FOR THERAPY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-09 US disclosed
US-20140011853-A1 SUBSTITUTED 3-(BIPHENYL-3-YL)-8,8-DIFLUORO-4-HYDROXY-1-AZASPIRO[4.5]DEC-3-EN-2-ONES FOR THERAPY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-09 US disclosed
US-20140011853-A1 SUBSTITUTED 3-(BIPHENYL-3-YL)-8,8-DIFLUORO-4-HYDROXY-1-AZASPIRO[4.5]DEC-3-EN-2-ONES FOR THERAPY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-09 US disclosed
EP-2675789-A1 SUBSTITUTED 3-(BIPHENYL-3-YL)-8,8-DIFLUORO-HYDROXY-1-AZASPIRO[4.5]DEC-3-EN-2-ONES FOR THERAPY AND HALOGEN-SUBSTITUTED SPIROCYCLIC KETOENOLS Bayer Intellectual Property GmbH (DE) 2013-12-25 EP disclosed
WO-2012110519-A1 SUBSTITUTED 3-(BIPHENYL-3-YL)-8,8-DIFLUORO-HYDROXY-1-AZASPIRO[4.5]DEC-3-EN-2-ONES FOR THERAPY AND HALOGEN-SUBSTITUTED SPIROCYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2012-08-23 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 (2 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-20140045696-A1 SUBSTITUTED 3-(BIPHENYL-3-YL)-8,8-DIFLUORO-4-HYDROXY-1-AZASPIRO[4.5]DEC-3-EN-2-ONES FOR THERAPY AND HALOGEN-SUBSTITUTED SPIROCYCLIC KETOENOLS DDT, PDHX, CYP8B1 ACACB 904/4885ACACA 1096/4885BACE1 4146/4885
US-20140011853-A1 SUBSTITUTED 3-(BIPHENYL-3-YL)-8,8-DIFLUORO-4-HYDROXY-1-AZASPIRO[4.5]DEC-3-EN-2-ONES FOR THERAPY DDT, PDHA1, KCNH1 ACACB 649/4885ACACA 866/4885BACE1 4123/4885

“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.