SCHEMBL720804

SCHEMBL720804

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 6/20 0.41
OGG1 O15527 1/20 0.40
CYP2D6 P10635 4/20 0.39
CYP1A2 P05177 3/20 0.39
ADRB2 P07550 3/20 0.39
ADRB1 P08588 3/20 0.39
SLC6A4 P31645 3/20 0.39
HTR2B P41595 3/20 0.39
SIGMAR1 Q99720 3/20 0.39
NR2E1 Q9Y466 3/20 0.39
ALDH1A1 P00352 3/20 0.39
ADRB3 P13945 2/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
SCN1A P35498 2/20 0.39
HTR6 P50406 2/20 0.39
SLC10A1 Q14973 2/20 0.39
SCN2A Q99250 2/20 0.39
SCN3A Q9NY46 2/20 0.39
MAPK1 P28482 2/20 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
SCHEMBL720803 1.00 BTN3A1 (0.41) BTN3A1OGG1CYP2D6CYP1A2ADRB2
SCHEMBL1273006 0.89 BTN3A1 (0.45) BTN3A1OGG1ALDH1A1MAPK1HSD17B10
SCHEMBL14941789 0.89 ALDH1A1 (0.39) BTN3A1OGG1NR2E1ALDH1A1MAPK1
SCHEMBL14941788 0.89 ALDH1A1 (0.39) BTN3A1OGG1NR2E1ALDH1A1MAPK1
SCHEMBL30628342 0.88 ALDH1A1 (0.43) BTN3A1OGG1ALDH1A1MAPK1HSD17B10
SCHEMBL22582156 0.88 ALDH1A1 (0.43) BTN3A1OGG1ALDH1A1MAPK1HSD17B10
SCHEMBL12274119 0.88 ALDH1A1 (0.43) BTN3A1OGG1ALDH1A1MAPK1HSD17B10
SCHEMBL723907 0.87 HTT (0.41) BTN3A1OGG1ALDH1A1MAPK1HSD17B10
SCHEMBL10208163 0.87 ALDH1A1 (0.40) BTN3A1OGG1NR2E1ALDH1A1MAPK1
SCHEMBL10208172 0.87 HTT (0.41) BTN3A1OGG1ALDH1A1MAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167151-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF JANSSEN PHARMACEUTICA NV (BE) 2023-06-01 US disclosed
EP-3797782-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF FOR USE IN THE TREATMENT OF VIRAL INFECTIONS Janssen BioPharma, Inc. (US) 2021-03-31 EP disclosed
US-20180079774-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. 2018-03-22 US disclosed
US-20180044369-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. 2018-02-15 US disclosed
US-9862743-B2 Substituted nucleosides, nucleotides and analogs thereof ALIOS BIOPHARMA, INC. (US) 2018-01-09 US disclosed
US-9815864-B2 Substituted nucleosides, nucleotides and analogs thereof ALIOS BIOPHARMA, INC. (US) 2017-11-14 US disclosed
US-20170143749-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. 2017-05-25 US disclosed
US-20170143751-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2017-05-25 US disclosed
US-9603863-B2 Substituted nucleosides, nucleotides and analogs thereof ALIOS BIOPHARMA, INC. (US) 2017-03-28 US disclosed
US-20170037075-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. 2017-02-09 US disclosed
US-20150011497-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2015-01-08 US disclosed
US-20140179627-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. (US) 2014-06-26 US disclosed
US-20140179910-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. (US) 2014-06-26 US disclosed
US-8759318-B2 Phosphoramidate derivatives of guanosine nucleoside compounds for treatment of viral infections INHIBITEX, INC. (US) 2014-06-24 US disclosed
US-8759318-B2 Phosphoramidate derivatives of guanosine nucleoside compounds for treatment of viral infections INHIBITEX, INC. (US) 2014-06-24 US disclosed
US-8759318-B2 Phosphoramidate derivatives of guanosine nucleoside compounds for treatment of viral infections INHIBITEX, INC. (US) 2014-06-24 US disclosed
US-20120052046-A1 Phosphoramidate Derivatives of Guanosine Nucleoside Compunds for Treatment of Viral Infections UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2012-03-01 US disclosed
US-20120052046-A1 Phosphoramidate Derivatives of Guanosine Nucleoside Compunds for Treatment of Viral Infections UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2012-03-01 US disclosed
US-20120052046-A1 Phosphoramidate Derivatives of Guanosine Nucleoside Compunds for Treatment of Viral Infections UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2012-03-01 US disclosed
WO-2010081082-A2 PHOSPHORAMIDATE DERIVATIVES OF GUANOSINE NUCLEOSIDE COMPOUNDS FOR TREATMENT OF VIRAL INFECTIONS UNIVERSITY COLLEGE OF CARDIFF CONSULTANTS LIMITED (GB) 2010-07-15 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 (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-20140179910-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C2 BTN3A1 4056/4885OGG1 220/4885CYP2D6 2173/4885
US-20140179627-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C2 BTN3A1 4056/4885OGG1 220/4885CYP2D6 2173/4885
US-20120052046-A1 Phosphoramidate Derivatives of Guanosine Nucleoside Compunds for Treatment of Viral Infections PNP, SAMHD1, MTAP BTN3A1 4601/4885OGG1 428/4885CYP2D6 2785/4885
US-20230167151-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C2 BTN3A1 4056/4885OGG1 220/4885CYP2D6 2173/4885
US-20180079774-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B BTN3A1 1701/4885OGG1 490/4885CYP2D6 1864/4885
US-20180044369-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, NUDT1 BTN3A1 2837/4885OGG1 556/4885CYP2D6 3296/4885
US-20170143749-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, TYMP BTN3A1 3327/4885OGG1 404/4885CYP2D6 1152/4885
US-20170037075-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C2 BTN3A1 4056/4885OGG1 220/4885CYP2D6 2173/4885
US-20170143751-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B BTN3A1 3191/4885OGG1 355/4885CYP2D6 3004/4885
US-20150011497-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B BTN3A1 1701/4885OGG1 490/4885CYP2D6 1864/4885

“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.