SCHEMBL12458124

SCHEMBL12458124

COC(=O)[C@]1(NC(=O)Cc2cc(-c3ccc(Cl)cc3)ccc2C)CC[C@@H](C(F)(F)F)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACACB O00763 7/20 0.45
ACACA Q13085 7/20 0.45
ANO1 Q5XXA6 1/20 0.35
SHMT1 P34896 1/20 0.33
SHMT2 P34897 1/20 0.33
CNR2 P34972 1/20 0.33
ENPP2 Q13822 1/20 0.33
SLC6A3 Q01959 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAPT P10636 1/20 0.31
LMNA P02545 2/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL2350333 1.00 ACACB (0.45) ACACBACACAANO1SHMT1SHMT2
SCHEMBL14689690 1.00 ACACB (0.45) ACACBACACAANO1SHMT1SHMT2
SCHEMBL2349298 0.91 ACACB (0.40) ACACBACACAANO1SHMT1SHMT2
SCHEMBL14689906 0.91 ACACB (0.40) ACACBACACAANO1SHMT1SHMT2
SCHEMBL12458435 0.91 ACACB (0.40) ACACBACACAANO1SHMT1SHMT2
SCHEMBL2350674 0.91 ACACB (0.40) ACACBACACASLC6A3
SCHEMBL12458137 0.91 ACACB (0.40) ACACBACACASLC6A3
SCHEMBL14689554 0.91 ACACB (0.40) ACACBACACASLC6A3
SCHEMBL12458432 0.89 ACACB (0.39) ACACBACACAANO1SHMT1SHMT2
SCHEMBL12458141 0.89 ACACB (0.40) ACACBACACAANO1ENPP2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278925-B2 Substituted 3-(biphenyl-3-yl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-03-08 US disclosed
US-9278925-B2 Substituted 3-(biphenyl-3-yl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-03-08 US disclosed
US-9278925-B2 Substituted 3-(biphenyl-3-yl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-03-08 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-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-20140275199-A1 SUBSTITUTED 3-(BIPHENYL-3-YL)-4-HYDROXY-8-METHOXY-1-AZASPIRO[4.5]DEC-3-EN-2-ONE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-18 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
US-20130040935-A1 CYCLIC KETO-ENOLS FOR THERAPY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-14 US disclosed
US-20130040935-A1 CYCLIC KETO-ENOLS FOR THERAPY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-14 US disclosed
US-20130040935-A1 CYCLIC KETO-ENOLS FOR THERAPY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-14 US disclosed
WO-2011098433-A1 CYCLIC KETO-ENOLS FOR THERAPY BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-18 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 (4 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-20140275199-A1 SUBSTITUTED 3-(BIPHENYL-3-YL)-4-HYDROXY-8-METHOXY-1-AZASPIRO[4.5]DEC-3-EN-2-ONE MALT1, UGT1A3, BMI1 ACACB 1121/4885ACACA 1826/4885ANO1 3949/4885
US-20130040935-A1 CYCLIC KETO-ENOLS FOR THERAPY AKR1B1, AKR1C3, AKR1A1 ACACB 310/4885ACACA 541/4885ANO1 3557/4885
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 1096/4885ANO1 1391/4885
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 866/4885ANO1 1379/4885

“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.