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Sugi Predict / Compounds / SCHEMBL1273006

SCHEMBL1273006

SCHEMBL1273006

CCOC(=O)[C@H](C)NP(=O)(Cl)Oc1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BTN3A1 O00481 6/20 0.45
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ TSHR P16473 1/20 0.41
▸ ELANE P08246 1/20 0.41
▸ OGG1 O15527 1/20 0.40
▸ CDC25A P30304 1/20 0.40
▸ CDC25B P30305 1/20 0.40
▸ CDC25C P30307 1/20 0.40
▸ PGR P06401 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ L3MBTL1 Q9Y468 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
SCHEMBL10208163 0.91 ALDH1A1 (0.40) BTN3A1ALDH1A1HPGDOGG1PGR
SCHEMBL720804 0.89 BTN3A1 (0.41) BTN3A1ALDH1A1TSHROGG1PGR
SCHEMBL720803 0.89 BTN3A1 (0.41) BTN3A1ALDH1A1TSHROGG1PGR
SCHEMBL22582156 0.89 ALDH1A1 (0.43) BTN3A1ALDH1A1HPGDOGG1PGR
SCHEMBL12274119 0.89 ALDH1A1 (0.43) BTN3A1ALDH1A1HPGDOGG1PGR
SCHEMBL30628342 0.89 ALDH1A1 (0.43) BTN3A1ALDH1A1HPGDOGG1PGR
SCHEMBL1274611 0.89 CNR2 (0.41) BTN3A1ALDH1A1HPGDOGG1L3MBTL1
SCHEMBL723907 0.88 HTT (0.41) BTN3A1ALDH1A1HPGDOGG1PGR
SCHEMBL10208172 0.88 HTT (0.41) BTN3A1ALDH1A1HPGDOGG1PGR
SCHEMBL1743835 0.88 HTT (0.41) BTN3A1ALDH1A1HPGDOGG1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11078221-B2 Phosphorodiamidates and other phosphorus derivatives of fingolimod and related S1P receptor modulators UNIVERSITY COLLEGE CARDIFF CONSULTANTS LTD (GB) 2021-08-03 — — US disclosed
US-20200255460-A1 PHOSPHORODIAMIDATES AND OTHER PHOSPHORUS DERIVATIVES OF FINGOLIMOD AND RELATED S1 P RECEPTOR MODULATORS UNIVERSITY COLLEGE CARDIFF CONSULTANTS LTD (GB) 2020-08-13 — — 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-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-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-20090099136-A1 DIOXOLANE THYMINE PHOSPHORAMIDATES AS ANTI-HIV AGENTS PHARMASSET, INC. (US) 2009-04-16 — — US disclosed
US-20090099136-A1 DIOXOLANE THYMINE PHOSPHORAMIDATES AS ANTI-HIV AGENTS PHARMASSET, INC. (US) 2009-04-16 — — US 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-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 (4 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-20090099136-A1 DIOXOLANE THYMINE PHOSPHORAMIDATES AS ANTI-HIV AGENTS TYMP, DTYMK, TYMS BTN3A1 1100/4885ALDH1A1 3512/4885HPGD 3617/4885
US-11078221-B2 Phosphorodiamidates and other phosphorus derivatives of fingolimod and related S1P receptor modulators S1PR1, S1PR3, S1PR4 BTN3A1 3368/4885ALDH1A1 3955/4885HPGD 4244/4885
US-20100234316-A1 Nucleoside Aryl Phosphoramidates for the Treatment of RNA-Dependent RNA Viral Infection NSUN2, NSUN3, RNGTT BTN3A1 3819/4885ALDH1A1 900/4885HPGD 2832/4885
US-20200255460-A1 PHOSPHORODIAMIDATES AND OTHER PHOSPHORUS DERIVATIVES OF FINGOLIMOD AND RELATED S1 P RECEPTOR MODULATORS S1PR1, S1PR3, FFAR1 BTN3A1 3116/4885ALDH1A1 3967/4885HPGD 4350/4885

“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.