SCHEMBL19838

SCHEMBL19838

CCC(NC(C)=O)C(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
ALOX15 P16050 1/20 0.48
NFKB1 P19838 1/20 0.48
PTGS2 P35354 1/20 0.48
THPO P40225 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 3/20 0.46
SIRT6 Q8N6T7 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
TSHR P16473 2/20 0.34
CA2 P00918 3/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA9 Q16790 2/20 0.33
MMP1 P03956 2/20 0.33
MMP2 P08253 2/20 0.33

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
SCHEMBL8025595 1.00 KDM4E (0.48) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL11982090 1.00 KDM4E (0.48) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL13953561 0.85 KDM4E (0.45) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL8134268 0.85 KDM4E (0.45) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL27410307 0.85 KDM4E (0.45) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL4701435 0.82 MAPT (0.64) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL12064252 0.82 MAPT (0.64) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL1704966 0.82 MAPT (0.64) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL16164165 0.82 KDM4E (0.37) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL10200248 0.82 KDM4E (0.37) KDM4EMAPTTHRBALOX15NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796705-B2 Fused tricyclic compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2017-10-24 US disclosed
US-20170119638-A1 MELANOGENESIS INHIBITOR COMPRISING D-PANTOTHENYL ALCOHOL, AND SKIN-WHITENING COSMETIC CONTAINING SAME MELANOGENESIS INHIBITOR POLA CHEMICAL INDUSTRIES, INC. (JP) 2017-05-04 US disclosed
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2017-01-12 US disclosed
US-9169240-B2 Ketone linked benzothiazole inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-27 US disclosed
US-9139569-B2 Fused tricyclic aryl compounds useful for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2015-09-22 US disclosed
US-20130156731-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEAS SCHERING CORPORATION 2013-06-20 US disclosed
WO-2013037992-A1 SORBENT COMPRISING ON ITS SURFACE AN AROMATIC RING SYSTEM HAVING AN ANIONIC OR DEPROTONIZABLE GROUP FOR THE PURIFICATION OF ORGANIC MOLECULES INSTRACTION GMBH (DE) 2013-03-21 WO disclosed
WO-2013007793-A1 COMPOSITE MATERIAL FOR CHROMATOGRAPHIC APPLICATIONS INSTRACTION GMBH (DE) 2013-01-17 WO disclosed
US-20120251491-A1 FUSED TRICYCLIC ARYL COMPOUNDS USEFUL FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME LLC 2012-10-04 US disclosed
US-8247381-B2 Branched water-soluble polymers and their conjugates BIOGENERIX AG (DE) 2012-08-21 US disclosed
US-20100331489-A1 BRANCHED WATER-SOLUBLE POLYMERS AND THEIR CONJUGATES BIOGENERIX AG (DE) 2010-12-30 US disclosed
US-7846710-B2 Cell comprising an intein for the production of a cyclic peptide THE PENN STATE RESEARCH FOUNDATION (US) 2010-12-07 US disclosed
WO-2010138791-A1 ANTIVIRAL COMPOUNDS COMPOSED OF THREE LINKED ARYL MOIETIES TO TREAT DISEASES SUCH AS HEPATITIS C SCHERING CORPORATION (US) 2010-12-02 WO disclosed
EP-1630165-B1 [1,2,4]TRIAZOLO[1,5-a]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF NIPPON KAYAKU KK (JP) 2010-03-31 EP disclosed
US-20070207502-A1 CYCLIC PEPTIDES THE PENN STATE RESEARCH FOUNDATION (US) 2007-09-06 US disclosed
US-20070020224-A1 Protein-proteophore complexes ASCENDIS PHARMA GMBH (DE) 2007-01-25 US disclosed
EP-0842923-B1 PYRROLE DERIVATIVES AND MEDICINAL COMPOSITION NIPPON SHINYAKU CO LTD (JP) 2006-03-01 EP disclosed
US-6172102-B1 POLLAKIURIA OR URINARY INCONTINENCE NIPPON SHINYAKU CO., LTD. (JP) 2001-01-09 US disclosed
US-5998459-A INCOTINENCE THERAPY NIPPON SHINYAKU CO., LTD. (JP) 1999-12-07 US disclosed
EP-0842923-A1 PYRROLE DERIVATIVES AND MEDICINAL COMPOSITION NIPPON SHINYAKU COMPANY, LIMITED (JP) 1998-05-20 EP 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 (7 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-20170119638-A1 MELANOGENESIS INHIBITOR COMPRISING D-PANTOTHENYL ALCOHOL, AND SKIN-WHITENING COSMETIC CONTAINING SAME MELANOGENESIS INHIBITOR MC1R, TYR, NAMPT KDM4E 1167/4885MAPT 966/4885THRB 479/4885
US-20070207502-A1 CYCLIC PEPTIDES ANPEP, RNPEP, LNPEP KDM4E 4552/4885MAPT 4582/4885THRB 1598/4885
US-20100331489-A1 BRANCHED WATER-SOLUBLE POLYMERS AND THEIR CONJUGATES SLC7A5, SLC43A1, SLC7A1 KDM4E 4463/4885MAPT 1895/4885THRB 3685/4885
US-20130156731-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEAS HAVCR2, ELOC, ZC3HAV1 KDM4E 2635/4885MAPT 1720/4885THRB 2877/4885
US-20070020224-A1 Protein-proteophore complexes PSMG3, PSME1, PSMD11 KDM4E 3799/4885MAPT 1228/4885THRB 3691/4885
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L KDM4E 2910/4885MAPT 1146/4885THRB 4542/4885
US-20120251491-A1 FUSED TRICYCLIC ARYL COMPOUNDS USEFUL FOR THE TREATMENT OF VIRAL DISEASES HAVCR2, ZC3HAV1, AADAC KDM4E 3035/4885MAPT 3329/4885THRB 3247/4885

“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.