SCHEMBL807413

SCHEMBL807413

COCOC(=O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 2/20 0.42
BTN3A1 O00481 5/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ELANE P08246 3/20 0.35
ENO1 P06733 1/20 0.34
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
DGAT1 O75907 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
SCHEMBL18651089 0.86 PRKCA (0.37) PRKCABTN3A1ALDH1A1POLBGAA
SCHEMBL681950 0.86 PRKCA (0.46) PRKCABTN3A1ALDH1A1POLBGAA
SCHEMBL12345780 0.84 DGAT1 (0.31) DGAT1
SCHEMBL5534787 0.81 PRKCA (0.43) PRKCABTN3A1ALDH1A1POLBGAA
SCHEMBL11987677 0.80
SCHEMBL15472935 0.79 PRKCA (0.42) PRKCABTN3A1ALDH1A1POLBGAA
SCHEMBL434232 0.79 PRKCA (0.42) PRKCABTN3A1ALDH1A1POLBGAA
SCHEMBL47526 0.78 CYP4F2 (0.37) CYP4F2CYP4A11
SCHEMBL12345969 0.78 DGAT1 (0.37) DGAT1
SCHEMBL15424775 0.77 PRKCA (0.41) PRKCABTN3A1ALDH1A1POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322704-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2023-10-12 US disclosed
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-3738969-A1 2'-CHLORO AMINOPYRIMIDINONE AND PYRIMIDINE DIONE NUCLEOSIDES FOR USE IN TREATING PNEUMOVIRINAE VIRUS INFECTIONS Gilead Sciences, Inc. (US) 2020-11-18 EP disclosed
US-20180201577-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2018-07-19 US disclosed
US-10017491-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2018-07-10 US disclosed
US-20180186807-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN BIOPHARMA CREDIT PLC (GB) 2018-07-05 US disclosed
US-20180147227-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES METROBIOTECH, LLC 2018-05-31 US disclosed
US-9981939-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2018-05-29 US disclosed
US-7427636-B2 Inosine monophosphate dehydrogenase 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
WO-2007027248-A2 3', 5' - CYCLIC NUCLEOSIDE ANALOGUES FOR TREATMENT OF HCV VALEANT RESEARCH & DEVELOPMENT (US) 2007-03-08 WO disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 US disclosed
US-4495180-A Prodrugs of Ara-A an antiviral agent MERCK & CO., INC. (US) 1985-01-22 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 (12 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 PRKCA 1552/4885BTN3A1 3911/4885ALDH1A1 1078/4885
US-20080167270-A1 ANTI-INFECTIVE PHOSPHONATE ANALOGS PHOSPHO1, PGLS, PSPH PRKCA 1219/4885BTN3A1 3066/4885ALDH1A1 4791/4885
US-20230322704-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB PRKCA 1592/4885BTN3A1 2743/4885ALDH1A1 1089/4885
US-20080107628-A1 Polymerase inhibitors POLR2H, POLR2E, POLR1E PRKCA 2662/4885BTN3A1 4694/4885ALDH1A1 1919/4885
US-20180201577-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB PRKCA 1592/4885BTN3A1 2743/4885ALDH1A1 1089/4885
US-20180147227-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES NAMPT, NNT, NQO1 PRKCA 1552/4885BTN3A1 3911/4885ALDH1A1 1078/4885
US-20230125751-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS PNP, RPIA, HPRT1 PRKCA 1530/4885BTN3A1 4281/4885ALDH1A1 1927/4885
US-20230293569-A1 MODULATING NUDIX HOMOLOGY DOMAIN (NHD) WITH NICOTINAMIDE MONONUCLEOTIDE ANALOGS AND DERIVATIVES OF SAME NAMPT, NUDT15, NME4 PRKCA 2458/4885BTN3A1 4049/4885ALDH1A1 2811/4885
US-20180186807-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB PRKCA 1592/4885BTN3A1 2743/4885ALDH1A1 1089/4885
US-20080008682-A1 Modulators of toll-like receptor 7 TLR7, TLR6, TLR3 PRKCA 1401/4885BTN3A1 3802/4885ALDH1A1 3629/4885
US-10017491-B2 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB PRKCA 1592/4885BTN3A1 2743/4885ALDH1A1 1089/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 PRKCA 1829/4885BTN3A1 3617/4885ALDH1A1 3337/4885

“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.