SCHEMBL4763798

SCHEMBL4763798

CNC(C)(C)C(=O)OC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.33
ABCB11 O95342 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
ADRB3 P13945 1/20 0.33
HPGD P15428 1/20 0.33
CNR1 P21554 1/20 0.33
ACHE P22303 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 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
SCHEMBL18856229 0.82
SCHEMBL18856247 0.82 CTSK (0.31)
SCHEMBL26635837 0.81 TSHR (0.40) TSHRMEN1KMT2AUSP2ABCB11
SCHEMBL12761589 0.79 TSHR (0.39) TSHRMEN1KMT2AUSP2ABCB11
SCHEMBL13667756 0.79 TSHR (0.39) TSHRMEN1KMT2AUSP2ABCB11
SCHEMBL19236581 0.77 TSHR (0.30) TSHR
SCHEMBL19591877 0.76 TSHR (0.36) TSHRMEN1KMT2AUSP2ABCB11
SCHEMBL28317120 0.76 TSHR (0.36) TSHRMEN1KMT2AUSP2ABCB11
SCHEMBL25883981 0.76 LMNA (0.39) LMNA
SCHEMBL22874327 0.74 TSHR (0.34) TSHRMEN1KMT2AUSP2ABCB11

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 39 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
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
US-20180147227-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES METROBIOTECH, LLC 2018-05-31 US disclosed
US-RE46762-E1 1′-substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC (US) 2018-03-27 US disclosed
US-9919003-B2 Nicotinamide mononucleotide derivatives and their uses METRO INTERNATIONAL BIOTECH, LLC (US) 2018-03-20 US disclosed
EP-2890704-B1 2'-ETHYNYL NUCLEOSIDE DERIVATIVES FOR TREATMENT OF VIRAL INFECTIONS NOVARTIS AG (CH) 2018-02-28 EP disclosed
US-9855289-B2 Nicotinamide mononucleotide derivatives and their uses METRO INTERNATIONAL BIOTECH, LLC (US) 2018-01-02 US disclosed
US-20170334868-A1 COMPOSITIONS AND METHODS OF TREATMENT WITH PRODRUGS OF TIZOXANIDE, AN ANALOGUE OR SALT THEREOF ROMARK LABORATORIES, L.C. (US) 2017-11-23 US disclosed
US-9814739-B2 2′-ethynyl nucleoside derivatives for treatment of viral infections NOVARTIS AG (CH) 2017-11-14 US 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 TSHR 3861/4885MEN1 950/4885KMT2A 2370/4885
US-20120009147-A1 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, NSUN2, CDA TSHR 1948/4885MEN1 4845/4885KMT2A 838/4885
US-20100203015-A1 CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, TYMP, MTAP TSHR 2926/4885MEN1 4743/4885KMT2A 1218/4885
US-20120027752-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS PNP, RPIA, HPRT1 TSHR 3767/4885MEN1 3156/4885KMT2A 2178/4885
US-20180147227-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES NAMPT, NNT, NQO1 TSHR 3861/4885MEN1 950/4885KMT2A 2370/4885
US-20230125751-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS PNP, RPIA, HPRT1 TSHR 3767/4885MEN1 3156/4885KMT2A 2178/4885
US-20100021425-A1 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, MTAP, SLC29A1 TSHR 2237/4885MEN1 4746/4885KMT2A 1439/4885
US-20170334868-A1 COMPOSITIONS AND METHODS OF TREATMENT WITH PRODRUGS OF TIZOXANIDE, AN ANALOGUE OR SALT THEREOF TK1, SLC7A1, SI TSHR 3354/4885MEN1 2641/4885KMT2A 1378/4885
US-20230293569-A1 MODULATING NUDIX HOMOLOGY DOMAIN (NHD) WITH NICOTINAMIDE MONONUCLEOTIDE ANALOGS AND DERIVATIVES OF SAME NAMPT, NUDT15, NME4 TSHR 3809/4885MEN1 1487/4885KMT2A 2685/4885
US-20090317361-A1 CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT CDA, PNP, MTAP TSHR 3046/4885MEN1 4735/4885KMT2A 974/4885

“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.