SCHEMBL807266

SCHEMBL807266

CNC(C)C(=O)OCC(C)C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.45
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RAB9A P51151 1/20 0.33
P2RX4 Q99571 1/20 0.33
HPGD P15428 1/20 0.32
CA14 Q9ULX7 1/20 0.32

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
SCHEMBL18726371 1.00 TSHR (0.45) TSHRALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL16274195 0.82 SMN1; SMN2 (0.32) SMN1; SMN2CA14
SCHEMBL20960140 0.80 TSHR (0.38) TSHRALDH1A1SMN1; SMN2TDP1
SCHEMBL13489331 0.80 CA14 (0.34) SMN1; SMN2CA14
SCHEMBL17011289 0.79 TSHR (0.44) TSHRALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL26730673 0.79 TSHR (0.43) TSHRALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL13531160 0.79 TSHR (0.48) TSHRALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL17215175 0.79 TSHR (0.43) TSHRALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL12761585 0.79 TSHR (0.43) TSHRALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL18556386 0.79 TSHR (0.39) TSHRALDH1A1SMN1; SMN2KDM4EMAPT

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 88 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
EP-3889164-A1 DEPROTECTION METHOD AND RESIN REMOVAL METHOD IN SOLID-PHASE REACTION FOR PEPTIDE COMPOUND OR AMIDE COMPOUND, AND METHOD FOR PRODUCING PEPTIDE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2021-10-06 EP disclosed
WO-2020111238-A1 DEPROTECTION METHOD AND RESIN REMOVAL METHOD IN SOLID-PHASE REACTION FOR PEPTIDE COMPOUND OR AMIDE COMPOUND, AND METHOD FOR PRODUCING PEPTIDE COMPOUND 中外製薬株式会社 2020-06-04 WO disclosed
EP-2697241-B1 1'-SUBSTITUTED PYRIMIDINE N-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES INC (US) 2019-06-12 EP disclosed
US-20180147227-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES METROBIOTECH, LLC 2018-05-31 US disclosed
US-20180086784-A1 Phosphonate analogs of HIV inhibitor compounds GILEAD SCIENCES, INC. 2018-03-29 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
US-7429565-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-09-30 US disclosed
US-7427636-B2 Inosine monophosphate dehydrogenase inhibitory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-09-23 US disclosed
US-7427624-B2 Purine nucleoside phosphorylase inhibitory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-09-23 US disclosed
US-7417055-B2 Kinase inhibitory phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-08-26 US disclosed
US-7407965-B2 Phosphonate analogs for treating metabolic diseases GILEAD SCIENCES, INC. (US) 2008-08-05 US disclosed
US-20080167270-A1 ANTI-INFECTIVE PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2008-07-10 US disclosed
US-20080107628-A1 Polymerase inhibitors GILEAD SCIENCES, INC. 2008-05-08 US disclosed
US-20080008682-A1 Modulators of toll-like receptor 7 GILEAD SCIENCES, INC. 2008-01-10 US disclosed
US-7300924-B2 Anti-infective phosphonate analogs GILEAD SCIENCES, INC. (US) 2007-11-27 US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 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-20230158053-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES NAMPT, NNT, NQO1 TSHR 3861/4885ALDH1A1 1078/4885SMN1; SMN2 147/4885
US-20080167270-A1 ANTI-INFECTIVE PHOSPHONATE ANALOGS PHOSPHO1, PGLS, PSPH TSHR 4310/4885ALDH1A1 4791/4885SMN1; SMN2 4506/4885
US-20080107628-A1 Polymerase inhibitors POLR2H, POLR2E, POLR1E TSHR 4486/4885ALDH1A1 1919/4885SMN1; SMN2 1178/4885
US-20180147227-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES NAMPT, NNT, NQO1 TSHR 3861/4885ALDH1A1 1078/4885SMN1; SMN2 147/4885
US-20230125751-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS PNP, RPIA, HPRT1 TSHR 3767/4885ALDH1A1 1927/4885SMN1; SMN2 746/4885
US-20230293569-A1 MODULATING NUDIX HOMOLOGY DOMAIN (NHD) WITH NICOTINAMIDE MONONUCLEOTIDE ANALOGS AND DERIVATIVES OF SAME NAMPT, NUDT15, NME4 TSHR 3809/4885ALDH1A1 2811/4885SMN1; SMN2 1314/4885
US-20180086784-A1 Phosphonate analogs of HIV inhibitor compounds PIK3CA, TYMP, ITPA TSHR 4872/4885ALDH1A1 4577/4885SMN1; SMN2 4228/4885
US-20080008682-A1 Modulators of toll-like receptor 7 TLR7, TLR6, TLR3 TSHR 897/4885ALDH1A1 3629/4885SMN1; SMN2 2869/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 TSHR 4782/4885ALDH1A1 3337/4885SMN1; SMN2 3324/4885

“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.