SCHEMBL4763665

SCHEMBL4763665

CCOC(=O)C(C)(C)NC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.44
MMP8 P22894 2/20 0.44
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP4F2 P78329 3/20 0.42
CYP4A11 Q02928 3/20 0.42
THRB P10828 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALOX15 P16050 1/20 0.39
SOAT1 P35610 1/20 0.39
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL31252077 0.84 PKM (0.46) PKMMMP8MGAMGAASI
SCHEMBL4763677 0.82 HCAR2 (0.36) GAAKDM4EALDH1A1LMNAHSD17B10
SCHEMBL19139306 0.81 MMP8 (0.48) PKMMMP8MGAMGAASI
SCHEMBL31251984 0.79 PKM (0.43) PKMMMP8MGAMGAASI
SCHEMBL16492131 0.79 KMT2A (0.34) KMT2A
SCHEMBL18430092 0.79 PKM (0.43) PKMMMP8MGAMGAASI
SCHEMBL12654680 0.79 PKM (0.43) PKMMMP8MGAMGAASI
SCHEMBL10154087 0.79 PKM (0.43) PKMMMP8MGAMGAASI
SCHEMBL4763694 0.79 ALDH1A1 (0.48) ALDH1A1LMNAMAPTATML3MBTL1
SCHEMBL10171878 0.77 MAPT (0.46) PKMMMP8MGAMGAASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230293569-A1 MODULATING NUDIX HOMOLOGY DOMAIN (NHD) WITH NICOTINAMIDE MONONUCLEOTIDE ANALOGS AND DERIVATIVES OF SAME PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2023-09-21 US disclosed
CN-111868060-B Dihydropyridino phthalazinone derivatives, preparation method and application thereof 上海艾力斯医药科技股份有限公司 2023-06-09 CN disclosed
US-20230158053-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES METROBIOTECH, LLC 2023-05-25 US disclosed
US-20230125751-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. 2023-04-27 US disclosed
CN-111868060-A Dihydropyridophthalazinone derivative, preparation method and application thereof 上海艾力斯医药科技股份有限公司 2020-10-30 CN disclosed
CN-110272419-A Dihydro pyrido phthalazinone derivatives, preparation method and application 上海艾力斯医药科技有限公司 2019-09-24 CN disclosed
WO-2019174607-A1 DIHYDROPYRIDOPHTHALAZINONE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海艾力斯医药科技有限公司 2019-09-19 WO disclosed
US-10059705-B2 Acyclic cyanoethylpyrazolo pyridones as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2018-08-28 US disclosed
US-20180147227-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES METROBIOTECH, LLC 2018-05-31 US disclosed
WO-2018087678-A1 USE OF RUTHENIUM COMPLEXES IN OLEFIN METATHESIS REACTION APEIRON SYNTHESIS S.A. (PL) 2018-05-17 WO disclosed
US-20120027752-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. (US) 2012-02-02 US disclosed
US-20120009147-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-01-12 US disclosed
US-8012942-B2 Carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2011-09-06 US disclosed
US-8012941-B2 Carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2011-09-06 US disclosed
US-8008264-B2 1′-substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2011-08-30 US disclosed
US-8008264-B2 1′-substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2011-08-30 US disclosed
US-7973013-B2 2'-fluoro substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2011-07-05 US disclosed
US-20100203015-A1 CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2010-08-12 US disclosed
US-20100021425-A1 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2010-01-28 US disclosed
US-20090317361-A1 CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2009-12-24 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 (10 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-20230158053-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES NAMPT, NNT, NQO1 PKM 1504/4885MMP8 1086/4885MGAM 1795/4885
US-20120009147-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, NSUN2, CDA PKM 2479/4885MMP8 3184/4885MGAM 450/4885
US-20100203015-A1 CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, TYMP, MTAP PKM 2354/4885MMP8 2209/4885MGAM 1630/4885
US-20120027752-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS PNP, RPIA, HPRT1 PKM 581/4885MMP8 2057/4885MGAM 297/4885
US-20180147227-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES NAMPT, NNT, NQO1 PKM 1504/4885MMP8 1086/4885MGAM 1795/4885
US-20230125751-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS PNP, RPIA, HPRT1 PKM 581/4885MMP8 2057/4885MGAM 297/4885
US-20100021425-A1 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, MTAP, SLC29A1 PKM 784/4885MMP8 2619/4885MGAM 390/4885
US-20230293569-A1 MODULATING NUDIX HOMOLOGY DOMAIN (NHD) WITH NICOTINAMIDE MONONUCLEOTIDE ANALOGS AND DERIVATIVES OF SAME NAMPT, NUDT15, NME4 PKM 4290/4885MMP8 3736/4885MGAM 3751/4885
US-10059705-B2 Acyclic cyanoethylpyrazolo pyridones as janus kinase inhibitors JAK1, JAK2, JAK3 PKM 724/4885MMP8 2196/4885MGAM 4800/4885
US-20090317361-A1 CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT CDA, PNP, MTAP PKM 2074/4885MMP8 1952/4885MGAM 885/4885

“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.