SCHEMBL1273013

SCHEMBL1273013

CCOC(=O)[C@H](C)NP(=O)(Cl)Oc1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
ABCB11 O95342 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
HTR2A P28223 1/20 0.43
PMP22 Q01453 1/20 0.43
PPARA Q07869 1/20 0.43
EPHX2 P34913 3/20 0.42
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL1274001 0.88 POLB (0.41) SMN1; SMN2ALDH1A1TDP1LMNAMEN1
SCHEMBL12621316 0.88 HPGD (0.47) BTN3A1SMN1; SMN2CYP1A2EPHX2ALDH1A1
SCHEMBL13875622 0.88 BTN3A1 (0.44) BTN3A1SMN1; SMN2ALDH1A1TDP1LMNA
SCHEMBL14466574 0.88 BTN3A1 (0.57) BTN3A1SMN1; SMN2TSHRALDH1A1TDP1
SCHEMBL21158533 0.88 BTN3A1 (0.57) BTN3A1SMN1; SMN2TSHRALDH1A1TDP1
SCHEMBL23992573 0.88 BTN3A1 (0.57) BTN3A1SMN1; SMN2TSHRALDH1A1TDP1
SCHEMBL807682 0.88 BTN3A1 (0.57) BTN3A1SMN1; SMN2TSHRALDH1A1TDP1
SCHEMBL21023979 0.87 BTN3A1 (0.41) BTN3A1CYP1A2ALDH1A1LMNAMEN1
SCHEMBL12621322 0.87 BTN3A1 (0.41) BTN3A1CYP1A2ALDH1A1LMNAMEN1
SCHEMBL12900829 0.86 MEN1 (0.46) BTN3A1SMN1; SMN2ABCB11CYP1A2CYP3A4

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE47589-E1 Phosphoramidate compounds and methods of use NuCana plc (GB) 2019-09-03 US disclosed
EP-2120565-B1 NUCLEOSIDE CYCLIC PHOSPHORAMIDATES FOR THE TREATMENT OF RNA-DEPENDENT RNA VIRAL INFECTION MERCK SHARP & DOHME (US) 2012-11-28 EP disclosed
US-8148349-B2 Nucleoside cyclic phosphoramidates for the treatment of RNA-dependent RNA viral infection ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2012-04-03 US disclosed
US-8148349-B2 Nucleoside cyclic phosphoramidates for the treatment of RNA-dependent RNA viral infection ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2012-04-03 US disclosed
US-8148349-B2 Nucleoside cyclic phosphoramidates for the treatment of RNA-dependent RNA viral infection ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2012-04-03 US disclosed
US-7951787-B2 Phosphoramidate compounds and methods of use CARDIFF PROTIDES LIMITED (GB) 2011-05-31 US disclosed
US-7951787-B2 Phosphoramidate compounds and methods of use CARDIFF PROTIDES LIMITED (GB) 2011-05-31 US disclosed
US-7879815-B2 inhibitors of viral polymerases such as 5'-O-[[4-chloro-5-methyl-2-(1-methylethyl)phenoxy][[(1S)-2-ethoxy-1-methyl-2-oxoethyl]amino]phosphinyl]-2'-C-methylcytidine, used for the treatment of hepatitis C virus infection in mammals MERCK SHARP & DOHME CORP. (US) 2011-02-01 US disclosed
US-7879815-B2 inhibitors of viral polymerases such as 5'-O-[[4-chloro-5-methyl-2-(1-methylethyl)phenoxy][[(1S)-2-ethoxy-1-methyl-2-oxoethyl]amino]phosphinyl]-2'-C-methylcytidine, used for the treatment of hepatitis C virus infection in mammals MERCK SHARP & DOHME CORP. (US) 2011-02-01 US disclosed
US-20100234316-A1 Nucleoside Aryl Phosphoramidates for the Treatment of RNA-Dependent RNA Viral Infection MSD ITALIA S.R.L. (IT) 2010-09-16 US disclosed
US-20100234316-A1 Nucleoside Aryl Phosphoramidates for the Treatment of RNA-Dependent RNA Viral Infection MSD ITALIA S.R.L. (IT) 2010-09-16 US disclosed
US-20100022468-A1 NUCLEOSIDE CYCLIC PHOSPHORAMIDATES FOR THE TREATMENT OF RNA-DEPENDENT RNA VIRAL INFECTION MERCK SHARP & DOHME LLC 2010-01-28 US disclosed
US-20100022468-A1 NUCLEOSIDE CYCLIC PHOSPHORAMIDATES FOR THE TREATMENT OF RNA-DEPENDENT RNA VIRAL INFECTION MERCK SHARP & DOHME LLC 2010-01-28 US disclosed
US-20100022468-A1 NUCLEOSIDE CYCLIC PHOSPHORAMIDATES FOR THE TREATMENT OF RNA-DEPENDENT RNA VIRAL INFECTION MERCK SHARP & DOHME LLC 2010-01-28 US disclosed
EP-2120565-A1 NUCLEOSIDE CYCLIC PHOSPHORAMIDATES FOR THE TREATMENT OF RNA-DEPENDENT RNA VIRAL INFECTION Merck & Co., Inc. (US) 2009-11-25 EP disclosed
EP-1987050-A2 NUCLEOSIDE ARYL PHOSPHORAMIDATES FOR THE TREATMENT OF RNA-DEPENDENT RNA VIRAL INFECTION Merck & Co., Inc. (US) 2008-11-05 EP disclosed
WO-2008079206-A1 NUCLEOSIDE CYCLIC PHOSPHORAMIDATES FOR THE TREATMENT OF RNA-DEPENDENT RNA VIRAL INFECTION MERCK & CO., INC. (US) 2008-07-03 WO disclosed
WO-2007095269-A2 NUCLEOSIDE ARYL PHOSPHORAMIDATES FOR THE TREATMENT OF RNA-DEPENDENT RNA VIRAL INFECTION MERCK & CO., INC. (US) 2007-08-23 WO 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 (2 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-20100234316-A1 Nucleoside Aryl Phosphoramidates for the Treatment of RNA-Dependent RNA Viral Infection NSUN2, NSUN3, RNGTT BTN3A1 3819/4885SMN1; SMN2 2938/4885ABCB11 1127/4885
US-20100022468-A1 NUCLEOSIDE CYCLIC PHOSPHORAMIDATES FOR THE TREATMENT OF RNA-DEPENDENT RNA VIRAL INFECTION RNGTT, NSUN2, RNASE1 BTN3A1 3938/4885SMN1; SMN2 3096/4885ABCB11 1644/4885

“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.