SCHEMBL2354233

SCHEMBL2354233

COC(=O)C1(NC(=O)Cc2cc(Br)ccc2C)CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
CTSL P07711 3/20 0.38
FFAR4 Q5NUL3 1/20 0.38
CTSK P43235 1/20 0.38
CTSB P07858 2/20 0.37
CTSS P25774 2/20 0.37
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
FAAH O00519 2/20 0.34
TRPV1 Q8NER1 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL12478445 0.88 FFAR4 (0.36) MAPTFFAR4ALDH1A1LMNAGAA
SCHEMBL14689831 0.87 LMNA (0.38) MAPTFFAR4ALDH1A1LMNAGAA
SCHEMBL14689830 0.87 LMNA (0.38) MAPTFFAR4ALDH1A1LMNAGAA
SCHEMBL12456922 0.87 LMNA (0.38) MAPTFFAR4ALDH1A1LMNAGAA
SCHEMBL14834162 0.86 SETDB1 (0.36) MAPTFFAR4ALDH1A1LMNAGAA
SCHEMBL2355304 0.85 SMN1; SMN2 (0.35) MAPTFFAR4ALDH1A1CYP2C9CYP2C19
SCHEMBL14689285 0.85 FFAR4 (0.34) FFAR4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL12458499 0.85 FFAR4 (0.34) FFAR4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL2354489 0.85 FFAR4 (0.34) FFAR4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL12478443 0.84 FFAR4 (0.34) MAPTFFAR4ALDH1A1LMNAGAA

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 19 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-2675788-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) 2013-12-25 EP 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-2012110518-A1 SUBSTITUTED 3-(BIPHENYL-3-YL)-8,8-DIFLUORO-4-HYDROXY-1-AZASPIRO[4.5]DEC-3-EN-2-ONES FOR THERAPY BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-08-23 WO disclosed
WO-2011098433-A1 CYCLIC KETO-ENOLS FOR THERAPY BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-18 WO 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 (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-20130040935-A1 CYCLIC KETO-ENOLS FOR THERAPY AKR1B1, AKR1C3, AKR1A1 MAPT 3891/4885CTSL 2438/4885FFAR4 1774/4885
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 MAPT 4844/4885CTSL 3884/4885FFAR4 1361/4885
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 MAPT 4803/4885CTSL 3444/4885FFAR4 1299/4885

“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.