SCHEMBL807261

SCHEMBL807261

CCCOC(=O)C(C)NC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.38
ALDH1A1 P00352 5/20 0.36
NPSR1 Q6W5P4 1/20 0.36
EPHX1 P07099 1/20 0.36
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
ALPG P10696 1/20 0.35
PPARG P37231 1/20 0.35
HTT P42858 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
ESR1 P03372 1/20 0.34
CHRM1 P11229 1/20 0.34
TSHR P16473 1/20 0.34
SLC6A2 P23975 1/20 0.34
KDR P35968 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ZDHHC7 Q9NXF8 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL19190109 1.00 HCAR2 (0.38) HCAR2ALDH1A1NPSR1EPHX1LMNA
SCHEMBL807264 0.87 ALDH1A1 (0.50) HCAR2ALDH1A1NPSR1EPHX1ALPG
SCHEMBL14304682 0.87 ALDH1A1 (0.50) HCAR2ALDH1A1NPSR1EPHX1ALPG
SCHEMBL2034542 0.85 EPHX1 (0.55) HCAR2ALDH1A1NPSR1EPHX1MAPK1
SCHEMBL2846894 0.85 EPHX1 (0.55) HCAR2ALDH1A1NPSR1EPHX1MAPK1
SCHEMBL23844103 0.84 EPHX1 (0.58) HCAR2ALDH1A1NPSR1EPHX1LMNA
SCHEMBL15796558 0.84 EPHX1 (0.58) HCAR2ALDH1A1NPSR1EPHX1LMNA
SCHEMBL21184185 0.84 EPHX1 (0.58) HCAR2ALDH1A1NPSR1EPHX1LMNA
Hydrochloric Acid SCHEMBL15569656 0.82 EPHX1 (0.56) HCAR2ALDH1A1NPSR1EPHX1LMNA
SCHEMBL29019108 0.82 EPHX1 (0.56) HCAR2ALDH1A1NPSR1EPHX1LMNA

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 98 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-20210061806-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. 2021-03-04 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
CN-109280116-A Constituent, solidfied material, image forming apparatus and image forming method 株式会社理光 2019-01-29 CN 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-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 (11 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 HCAR2 532/4885ALDH1A1 1078/4885NPSR1 1225/4885
US-20210061806-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS PNP, RPIA, HPRT1 HCAR2 2888/4885ALDH1A1 1927/4885NPSR1 3261/4885
US-20080167270-A1 ANTI-INFECTIVE PHOSPHONATE ANALOGS PHOSPHO1, PGLS, PSPH HCAR2 4452/4885ALDH1A1 4791/4885NPSR1 3222/4885
US-20080107628-A1 Polymerase inhibitors POLR2H, POLR2E, POLR1E HCAR2 4600/4885ALDH1A1 1919/4885NPSR1 4482/4885
US-20190315785-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS PIK3CA, TYMP, ITPA HCAR2 4704/4885ALDH1A1 4577/4885NPSR1 4121/4885
US-20180147227-A1 NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES NAMPT, NNT, NQO1 HCAR2 532/4885ALDH1A1 1078/4885NPSR1 1225/4885
US-20230125751-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS PNP, RPIA, HPRT1 HCAR2 2888/4885ALDH1A1 1927/4885NPSR1 3261/4885
US-20230293569-A1 MODULATING NUDIX HOMOLOGY DOMAIN (NHD) WITH NICOTINAMIDE MONONUCLEOTIDE ANALOGS AND DERIVATIVES OF SAME NAMPT, NUDT15, NME4 HCAR2 2121/4885ALDH1A1 2811/4885NPSR1 3953/4885
US-20180086784-A1 Phosphonate analogs of HIV inhibitor compounds PIK3CA, TYMP, ITPA HCAR2 4704/4885ALDH1A1 4577/4885NPSR1 4121/4885
US-20080008682-A1 Modulators of toll-like receptor 7 TLR7, TLR6, TLR3 HCAR2 125/4885ALDH1A1 3629/4885NPSR1 401/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 HCAR2 4597/4885ALDH1A1 3337/4885NPSR1 4160/4885

“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.