SCHEMBL8976517

SCHEMBL8976517

Cc1cc(F)c(F)c(CO)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.35
NOS3 P29474 5/20 0.33
NOS1 P29475 5/20 0.33
NOS2 P35228 5/20 0.33
MAPK1 P28482 1/20 0.33
MAP2K4 P45985 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
MAPKAPK3 Q16644 1/20 0.33
MAPK6 Q16659 1/20 0.33
SELL P14151 1/20 0.33
SELP P16109 1/20 0.33
SELE P16581 1/20 0.33
SHBG P04278 1/20 0.32
RIPK1 Q13546 1/20 0.32
AMY1A P0DUB6 1/20 0.31
HSPA5 P11021 1/20 0.31
WDR5 P61964 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL15277107 0.79 RAPGEF4 (0.36) RAPGEF4NOS3NOS1NOS2
SCHEMBL17942337 0.78 SHBG (0.34) SHBG
SCHEMBL31486558 0.77 NOS1 (0.40) RAPGEF4NOS3NOS1NOS2
SCHEMBL22380038 0.77 HSPA5 (0.40) MAPK1MAP2K4MAPKAPK2MAPKAPK3MAPK6
SCHEMBL698821 0.76 RIPK1 (0.44) RIPK1PDE4APDE4BPDE4CPDE4D
SCHEMBL29518822 0.76 RIPK1 (0.44) RIPK1PDE4APDE4BPDE4CPDE4D
SCHEMBL29314259 0.76 NOS1 (0.39) RAPGEF4NOS3NOS1NOS2
SCHEMBL15725791 0.75 PDE4A (0.47) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL3062133 0.74 SLC6A4 (0.31) CES2CES1
SCHEMBL12621 0.74 RAPGEF4 (0.52) RAPGEF4SELLSELPSELECES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170334882-A1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS, INC 2017-11-23 US disclosed
US-9751857-B2 Hepatitis B antiviral agents NOVIRA THERAPEUTICS, INC. (US) 2017-09-05 US disclosed
US-20170217949-A1 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES CONTAINING A SULFOXIMINE GROUP BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-08-03 US disclosed
US-9676747-B2 Hepatitis B antiviral agents NOVIRA THERAPEUTICS, INC. (US) 2017-06-13 US disclosed
US-9669034-B2 4-aryl-N-phenyl-1,3,5-triazin-2-amines containing a sulfoximine group BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-06-06 US disclosed
US-20150259324-A1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS, INC. 2015-09-17 US disclosed
US-9133171-B2 Disubstituted 5-fluoro pyrimidine derivatives containing a sulfoximine group BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-09-15 US disclosed
US-9066932-B2 Hepatitis B antiviral agents NOVIRA THERAPEUTICS, INC. (US) 2015-06-30 US disclosed
US-9061008-B2 Hepatitis B antiviral agents NOVIRA THERAPEUTICS, INC. (US) 2015-06-23 US disclosed
US-20150152073-A1 Hepatitis B Antiviral Agents NOVIRA THERAPEUTICS, INC. 2015-06-04 US disclosed
US-20150005329-A1 DISUBSTITUTED 5-FLUORO PYRIMIDINE DERIVATIVES CONTAINING A SULFOXIMINE GROUP BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-01-01 US disclosed
US-20140315906-A1 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES CONTAINING A SULFOXIMINE GROUP BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-23 US disclosed
US-20140178337-A1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS, INC. 2014-06-26 US disclosed
US-8629274-B2 Hepatitis B antiviral agents NOVIRA THERAPEUTICS, INC. (US) 2014-01-14 US disclosed
US-20130251673-A1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS, INC. (US) 2013-09-26 US disclosed
US-8188073-B2 Benzoxazines and related nitrogen-containing heterobicyclic compounds useful as mineralocorticoid receptor modulating agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-05-29 US disclosed
US-20110251185-A1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS IIJIMA TORU 2011-10-13 US 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-20150152073-A1 Hepatitis B Antiviral Agents HAVCR2, EIF2AK2, IRF3 RAPGEF4 2681/4885NOS3 906/4885NOS1 1340/4885
US-20140178337-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, EIF2AK2, IRF3 RAPGEF4 2681/4885NOS3 906/4885NOS1 1340/4885
US-20170217949-A1 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES CONTAINING A SULFOXIMINE GROUP PAH, NAT1, SULT2A1 RAPGEF4 4731/4885NOS3 378/4885NOS1 285/4885
US-20140315906-A1 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES CONTAINING A SULFOXIMINE GROUP PAH, NAT1, SULT2A1 RAPGEF4 4731/4885NOS3 378/4885NOS1 285/4885
US-20170334882-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, EIF2AK2, IRF3 RAPGEF4 2681/4885NOS3 906/4885NOS1 1340/4885
US-20130251673-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, EIF2AK2, IRF3 RAPGEF4 2681/4885NOS3 906/4885NOS1 1340/4885
US-20150005329-A1 DISUBSTITUTED 5-FLUORO PYRIMIDINE DERIVATIVES CONTAINING A SULFOXIMINE GROUP DHFR, DPYD, TYMP RAPGEF4 4610/4885NOS3 1148/4885NOS1 976/4885
US-20110251185-A1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS NR3C2, MC2R, NR3C1 RAPGEF4 636/4885NOS3 1071/4885NOS1 960/4885
US-20150259324-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, EIF2AK2, IRF3 RAPGEF4 2681/4885NOS3 906/4885NOS1 1340/4885

“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.