SCHEMBL784413

SCHEMBL784413

CC(C)OC(=O)[C@H](C)NP(=S)(Cl)Oc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 10/20 0.52
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
ELANE P08246 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL15052723 1.00 BTN3A1 (0.52) BTN3A1CYP3A4CYP2C9ELANEHTT
SCHEMBL17198445 1.00 BTN3A1 (0.52) BTN3A1CYP3A4CYP2C9ELANEHTT
SCHEMBL790348 0.88 BTN3A1 (0.50) BTN3A1ELANE
SCHEMBL790562 0.88 BTN3A1 (0.42) BTN3A1ELANEHTT
SCHEMBL16374214 0.86 BTN3A1 (0.55) BTN3A1CYP3A4CYP2C9ELANEHTT
SCHEMBL524067 0.86 BTN3A1 (0.55) BTN3A1CYP3A4CYP2C9ELANEHTT
SCHEMBL18067091 0.86 BTN3A1 (0.52) BTN3A1CYP3A4CYP2C9ELANE
SCHEMBL20248041 0.86 BTN3A1 (0.55) BTN3A1CYP3A4CYP2C9ELANEHTT
SCHEMBL18067089 0.86 BTN3A1 (0.52) BTN3A1CYP3A4CYP2C9ELANE
SCHEMBL524066 0.86 BTN3A1 (0.55) BTN3A1CYP3A4CYP2C9ELANEHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9814739-B2 2′-ethynyl nucleoside derivatives for treatment of viral infections NOVARTIS AG (CH) 2017-11-14 US disclosed
US-9814739-B2 2′-ethynyl nucleoside derivatives for treatment of viral infections NOVARTIS AG (CH) 2017-11-14 US disclosed
US-20170112868-A1 2'-Ethynyl Nucleoside Derivatives for Treatment of Viral Infections NOVARTIS AG (CH) 2017-04-27 US disclosed
US-20170112868-A1 2'-Ethynyl Nucleoside Derivatives for Treatment of Viral Infections NOVARTIS AG (CH) 2017-04-27 US disclosed
US-9605018-B2 Substituted nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2017-03-28 US disclosed
US-9556216-B2 2′-Ethynyl nucleoside derivatives for treatment of viral infections NOVARTIS AG (CH) 2017-01-31 US disclosed
US-9556216-B2 2′-Ethynyl nucleoside derivatives for treatment of viral infections NOVARTIS AG (CH) 2017-01-31 US disclosed
US-20160264610-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA INC (US) 2016-09-15 US disclosed
US-20160264610-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA INC (US) 2016-09-15 US disclosed
US-9346848-B2 Azido nucleosides and nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2016-05-24 US disclosed
WO-2014033617-A1 2'-ETHYNYL NUCLEOSIDE DERIVATIVES FOR TREATMENT OF VIRAL INFECTIONS NOVARTIS AG (CH) 2014-03-06 WO disclosed
US-20130281687-A1 METHODS OF PREPARING SUBSTITUTED NUCLEOTIDE ANALOGS VERTEX PHARMACEUTICALS INCORPORATED 2013-10-24 US disclosed
US-20130253181-A1 METHODS OF PREPARING SUBSTITUTED NUCLEOTIDE ANALOGS VERTEX PHARMACEUTICALS INC. (US) 2013-09-26 US disclosed
US-20130253181-A1 METHODS OF PREPARING SUBSTITUTED NUCLEOTIDE ANALOGS VERTEX PHARMACEUTICALS INC. (US) 2013-09-26 US disclosed
WO-2013142125-A1 METHODS OF PREPARING SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2013-09-26 WO disclosed
WO-2013096680-A1 SUBSTITUTED PHOSPHOROTHIOATE NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2013-06-27 WO disclosed
US-20130164261-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2013-06-27 US disclosed
US-20120071434-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-22 US disclosed
US-20120070415-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-22 US disclosed
US-20120070415-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-22 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 (7 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-20130253181-A1 METHODS OF PREPARING SUBSTITUTED NUCLEOTIDE ANALOGS NUDT1, PNP, TYMP BTN3A1 4018/4885CYP3A4 3081/4885CYP2C9 3517/4885
US-20160264610-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS PNP, ADA, ADAR BTN3A1 3276/4885CYP3A4 2267/4885CYP2C9 3190/4885
US-20130164261-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NUDT1, TYMP BTN3A1 3215/4885CYP3A4 4180/4885CYP2C9 4386/4885
US-20130281687-A1 METHODS OF PREPARING SUBSTITUTED NUCLEOTIDE ANALOGS NUDT1, PNP, TYMP BTN3A1 4018/4885CYP3A4 3081/4885CYP2C9 3517/4885
US-20120071434-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NUDT1, TYMP BTN3A1 3215/4885CYP3A4 4180/4885CYP2C9 4386/4885
US-20170112868-A1 2'-Ethynyl Nucleoside Derivatives for Treatment of Viral Infections EIF2AK2, NEK5, ERN2 BTN3A1 1740/4885CYP3A4 3134/4885CYP2C9 1981/4885
US-20120070415-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS PNP, ADA, ADAR BTN3A1 3276/4885CYP3A4 2267/4885CYP2C9 3190/4885

“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.