SCHEMBL15070825

SCHEMBL15070825

C#C[C@]1(CO)O[C@@H](n2cnc3c(=O)[nH]c(C)nc32)[C@H](F)[C@@H]1O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.41
▸ ADORA3 P0DMS8 1/20 0.38
▸ STING1 Q86WV6 9/20 0.37
▸ IMPDH2 P12268 2/20 0.36
▸ IMPDH1 P20839 1/20 0.36
▸ HINT1 P49773 1/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35

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
SCHEMBL15070263 0.91 HPGD (0.42) HPGDADORA3STING1IMPDH2IMPDH1
SCHEMBL15070557 0.89 ADORA3 (0.50) HPGDADORA3STING1HINT1
SCHEMBL15070280 0.85 HPGD (0.44) HPGDADORA3STING1IMPDH2IMPDH1
SCHEMBL16144362 0.84 HPGD (0.44) HPGDADORA3STING1IMPDH2IMPDH1
SCHEMBL15070267 0.84 HPGD (0.44) HPGDADORA3STING1IMPDH2IMPDH1
SCHEMBL15070344 0.83 IMPDH2 (0.41) ADORA3IMPDH2IMPDH1TAS1R3TAS1R1
SCHEMBL15070820 0.82 HPGD (0.42) HPGDADORA3STING1IMPDH2IMPDH1
SCHEMBL15070302 0.82 HPGD (0.44) HPGDADORA3STING1IMPDH2IMPDH1
SCHEMBL16375326 0.82 ADORA3 (0.42) HPGDADORA3STING1HINT1
SCHEMBL15070301 0.81 HPGD (0.41) HPGDADORA3STING1IMPDH2IMPDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180079774-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. 2018-03-22 — — US disclosed
US-9815864-B2 Substituted nucleosides, nucleotides and analogs thereof ALIOS BIOPHARMA, INC. (US) 2017-11-14 — — US disclosed
US-20160331770-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. 2016-11-17 — — US disclosed
US-9441007-B2 Substituted nucleosides, nucleotides and analogs thereof ALIOS BIOPHARMA, INC. (US) 2016-09-13 — — US disclosed
US-9296777-B2 2′,4′-substituted nucleosides as antiviral agents GILEAD PHARMASSET LLC (US) 2016-03-29 — — US disclosed
US-20150315228-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. 2015-11-05 — — US disclosed
US-9073960-B2 Substituted nucleosides, nucleotides and analogs thereof ALIOS BIOPHARMA, INC. (US) 2015-07-07 — — US disclosed
US-20150051167-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. 2015-02-19 — — US disclosed
US-20150011497-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2015-01-08 — — US disclosed
US-20140235563-A1 2',4'-SUBSTITUTED NUCLEOSIDES AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. (US) 2014-08-21 — — US disclosed
US-20130165400-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. (US) 2013-06-27 — — 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-20130165400-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, ADAR HPGD 1613/4885ADORA3 59/4885STING1 301/4885
US-20180079774-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B HPGD 936/4885ADORA3 53/4885STING1 698/4885
US-20160331770-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, ADAR HPGD 1613/4885ADORA3 59/4885STING1 301/4885
US-20150051167-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, ADAR HPGD 1613/4885ADORA3 59/4885STING1 301/4885
US-20140235563-A1 2',4'-SUBSTITUTED NUCLEOSIDES AS ANTIVIRAL AGENTS HAVCR2, NUDT1, NT5C3B HPGD 2182/4885ADORA3 102/4885STING1 105/4885
US-20150315228-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, ADAR HPGD 1613/4885ADORA3 59/4885STING1 301/4885
US-20150011497-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B HPGD 936/4885ADORA3 53/4885STING1 698/4885

“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.

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