SCHEMBL4765072

SCHEMBL4765072

CCOC(=O)C(Cc1ccccc1)NC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.59
ELANE P08246 1/20 0.53
HPRT1 P00492 1/20 0.53
TP53 P04637 2/20 0.52
TACR1 P25103 1/20 0.51
POLB P06746 2/20 0.50
ALDH1A1 P00352 2/20 0.49
EPHX2 P34913 1/20 0.49
PPARG P37231 1/20 0.49
GAA P10253 1/20 0.49
RAB9A P51151 1/20 0.49
ATM Q13315 1/20 0.49
NPY1R P25929 1/20 0.48
NPY2R P49146 1/20 0.48
THRB P10828 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 1/20 0.48
EGFR P00533 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL6322057 1.00 MMP8 (0.59) MMP8ELANEHPRT1TP53TACR1
Hydrochloric Acid SCHEMBL8027739 0.98 MMP8 (0.57) MMP8ELANEHPRT1TP53TACR1
Hydrochloric Acid SCHEMBL4588428 0.98 MMP8 (0.57) MMP8ELANEHPRT1TP53TACR1
SCHEMBL18202478 0.87 POLB (0.51) MMP8HPRT1TACR1POLBALDH1A1
SCHEMBL807265 0.87 POLB (0.51) MMP8HPRT1TACR1POLBALDH1A1
SCHEMBL27464748 0.87 MMP8 (0.59) MMP8ELANEHPRT1TP53TACR1
SCHEMBL15343891 0.87 MMP8 (0.59) MMP8ELANEHPRT1TP53TACR1
SCHEMBL2059140 0.87 TACR1 (0.58) TACR1POLBALDH1A1
SCHEMBL8966036 0.87 MMP8 (0.59) MMP8ELANEHPRT1TP53TACR1
SCHEMBL13108402 0.87 TACR1 (0.58) TACR1POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111801100-B 7-substituted sulfoimidoyl purinone compounds and derivatives for the treatment and prevention of liver cancer 豪夫迈·罗氏有限公司 2023-10-24 CN 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
US-20230028516-A1 PRODRUGS OF ITACONATE AND METHYL ITACONATE INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY AS CR V.V.I. (CZ) 2023-01-26 US disclosed
US-20230025922-A1 USE OF ITACONATE AND ITS DERIVATIVES/ANALOGUES TO INDUCE HAIR GROWTH THE JOHNS HOPKINS UNIVERSTY 2023-01-26 US disclosed
CN-109641904-B 7-substituted sulfoxy-purinone compounds for the treatment and prevention of viral infections 豪夫迈·罗氏有限公司 2022-01-28 CN disclosed
EP-3865482-A1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2021-08-18 EP disclosed
WO-2021087082-A1 PRODRUGS OF ITACONATE AND METHYL ITACONATE THE JOHNS HOPKINS UNIVERSITY (US) 2021-05-06 WO disclosed
WO-2021087083-A1 USE OF ITACONATE AND ITS DERIVATIVES/ANALOGUES TO INDUCE HAIR GROWTH THE JOHNS HOPKINS UNIVERSITY (US) 2021-05-06 WO disclosed
US-20100104532-A1 NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2010-04-29 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
WO-2009132123-A1 CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2009-10-29 WO disclosed
WO-2009132135-A1 1' -SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2009-10-29 WO disclosed
US-20080234227-A1 Dextran functionalized by hydrophobic amino acids ADOCIA (FR) 2008-09-25 US disclosed
US-20080107628-A1 Polymerase inhibitors GILEAD SCIENCES, INC. 2008-05-08 US disclosed
EP-0188805-B1 1,3-DITHIOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-09-06 EP disclosed
US-4737494-A 2-YLIDENE AMMONIUM COMPOUNDS USED IN TREATING LIVER DISEASES BANYU PHARMACEUTICAL CO., LTD. (JP) 1988-04-12 US disclosed
EP-0188805-A1 1,3-Dithiole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1986-07-30 EP 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 MMP8 1086/4885ELANE 683/4885HPRT1 29/4885
US-20080107628-A1 Polymerase inhibitors POLR2H, POLR2E, POLR1E MMP8 232/4885ELANE 448/4885HPRT1 529/4885
US-20080234227-A1 Dextran functionalized by hydrophobic amino acids TPH2, IDO2, AADAT MMP8 3817/4885ELANE 1850/4885HPRT1 3483/4885
US-20230025922-A1 USE OF ITACONATE AND ITS DERIVATIVES/ANALOGUES TO INDUCE HAIR GROWTH LRBA, HADHA, IMPDH1 MMP8 451/4885ELANE 2738/4885HPRT1 766/4885
US-20100104532-A1 NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT SLC29A1, NUDT1, EIF2AK2 MMP8 4184/4885ELANE 2490/4885HPRT1 15/4885
US-20230125751-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS PNP, RPIA, HPRT1 MMP8 2057/4885ELANE 1217/4885HPRT1 3/4885
US-20100021425-A1 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, MTAP, SLC29A1 MMP8 2619/4885ELANE 2806/4885HPRT1 59/4885
US-20230028516-A1 PRODRUGS OF ITACONATE AND METHYL ITACONATE HADHA, IMPDH1, CYP27A1 MMP8 1122/4885ELANE 2522/4885HPRT1 104/4885
US-20230293569-A1 MODULATING NUDIX HOMOLOGY DOMAIN (NHD) WITH NICOTINAMIDE MONONUCLEOTIDE ANALOGS AND DERIVATIVES OF SAME NAMPT, NUDT15, NME4 MMP8 3736/4885ELANE 2805/4885HPRT1 144/4885
US-20090317361-A1 CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT CDA, PNP, MTAP MMP8 1952/4885ELANE 1728/4885HPRT1 44/4885

“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.