SCHEMBL807264

SCHEMBL807264

CCCCOC(=O)C(C)NC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
NPSR1 Q6W5P4 2/20 0.48
EPHX1 P07099 1/20 0.47
ATM Q13315 1/20 0.47
ALPG P10696 1/20 0.46
PPARG P37231 1/20 0.46
HTT P42858 1/20 0.46
NCOA2 Q15596 1/20 0.46
NCOA1 Q15788 1/20 0.46
HPGD P15428 2/20 0.44
TSHR P16473 2/20 0.44
RAB9A P51151 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ACHE P22303 6/20 0.41
HCAR2 Q8TDS4 1/20 0.41
NAAA Q02083 1/20 0.41
ZDHHC7 Q9NXF8 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL14304682 1.00 ALDH1A1 (0.50) ALDH1A1NPSR1EPHX1ATMALPG
SCHEMBL2846894 0.94 EPHX1 (0.55) ALDH1A1NPSR1EPHX1TSHRACHE
SCHEMBL2034542 0.94 EPHX1 (0.55) ALDH1A1NPSR1EPHX1TSHRACHE
SCHEMBL23844103 0.92 EPHX1 (0.58) ALDH1A1NPSR1EPHX1TSHRACHE
SCHEMBL21184185 0.92 EPHX1 (0.58) ALDH1A1NPSR1EPHX1TSHRACHE
SCHEMBL15796558 0.92 EPHX1 (0.58) ALDH1A1NPSR1EPHX1TSHRACHE
SCHEMBL29019108 0.90 EPHX1 (0.56) ALDH1A1NPSR1EPHX1TSHRACHE
Hydrochloric Acid SCHEMBL15569656 0.90 EPHX1 (0.56) ALDH1A1NPSR1EPHX1TSHRACHE
SCHEMBL8274237 0.87 NPSR1 (0.43) ALDH1A1NPSR1EPHX1ATMALPG
SCHEMBL19190109 0.87 HCAR2 (0.38) ALDH1A1NPSR1EPHX1ALPGPPARG

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 84 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-20190315785-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2019-10-17 US 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-9855289-B2 Nicotinamide mononucleotide derivatives and their uses METRO INTERNATIONAL BIOTECH, LLC (US) 2018-01-02 US disclosed
US-7432261-B2 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-10-07 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

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 ALDH1A1 1078/4885NPSR1 1225/4885EPHX1 2406/4885
US-20080167270-A1 ANTI-INFECTIVE PHOSPHONATE ANALOGS PHOSPHO1, PGLS, PSPH ALDH1A1 4791/4885NPSR1 3222/4885EPHX1 3424/4885
US-20080107628-A1 Polymerase inhibitors POLR2H, POLR2E, POLR1E ALDH1A1 1919/4885NPSR1 4482/4885EPHX1 2851/4885
US-20190315785-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS PIK3CA, TYMP, ITPA ALDH1A1 4577/4885NPSR1 4121/4885EPHX1 3587/4885
US-20180147227-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES NAMPT, NNT, NQO1 ALDH1A1 1078/4885NPSR1 1225/4885EPHX1 2406/4885
US-20230125751-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS PNP, RPIA, HPRT1 ALDH1A1 1927/4885NPSR1 3261/4885EPHX1 2181/4885
US-20230293569-A1 MODULATING NUDIX HOMOLOGY DOMAIN (NHD) WITH NICOTINAMIDE MONONUCLEOTIDE ANALOGS AND DERIVATIVES OF SAME NAMPT, NUDT15, NME4 ALDH1A1 2811/4885NPSR1 3953/4885EPHX1 1327/4885
US-20180086784-A1 Phosphonate analogs of HIV inhibitor compounds PIK3CA, TYMP, ITPA ALDH1A1 4577/4885NPSR1 4121/4885EPHX1 3587/4885
US-20080008682-A1 Modulators of toll-like receptor 7 TLR7, TLR6, TLR3 ALDH1A1 3629/4885NPSR1 401/4885EPHX1 3792/4885

“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.