SCHEMBL15070832

SCHEMBL15070832

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

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ IMPDH2 P12268 4/20 0.35
▸ IMPDH1 P20839 2/20 0.33
▸ TAS1R3 Q7RTX0 1/20 0.33
▸ TAS1R1 Q7RTX1 1/20 0.33
▸ POLA1 P09884 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ HINT1 P49773 1/20 0.32

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
SCHEMBL15070724 0.89 ADORA3 (0.49) ADORA3HINT1
SCHEMBL15070301 0.82 HPGD (0.41) ADORA3HPGDIMPDH2IMPDH1TAS1R3
SCHEMBL16214156 0.79 ADORA3 (0.35) ADORA3HPGDIMPDH2IMPDH1TAS1R3
SCHEMBL15837259 0.79 ADORA3 (0.39) ADORA3HPGDIMPDH2IMPDH1TAS1R3
SCHEMBL15837496 0.79 ADORA3 (0.39) ADORA3HPGDIMPDH2IMPDH1TAS1R3
SCHEMBL21385626 0.78 HPGD (0.49) ADORA3HPGDADORA2A
SCHEMBL15070719 0.77 TYMP (0.38) HPGDTAS1R3TAS1R1POLA1
SCHEMBL18875013 0.76 ADORA3 (0.38) ADORA3HPGDIMPDH2IMPDH1TAS1R3
SCHEMBL15837260 0.76 ADORA3 (0.37) ADORA3HPGDIMPDH2IMPDH1TAS1R3
SCHEMBL16367934 0.75 ADORA3 (0.38) ADORA3HPGDIMPDH2IMPDH1TAS1R3

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 9 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-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-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 (6 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 ADORA3 59/4885HPGD 1613/4885IMPDH2 127/4885
US-20180079774-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B ADORA3 53/4885HPGD 936/4885IMPDH2 119/4885
US-20160331770-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, ADAR ADORA3 59/4885HPGD 1613/4885IMPDH2 127/4885
US-20150051167-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, ADAR ADORA3 59/4885HPGD 1613/4885IMPDH2 127/4885
US-20150315228-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, ADAR ADORA3 59/4885HPGD 1613/4885IMPDH2 127/4885
US-20150011497-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B ADORA3 53/4885HPGD 936/4885IMPDH2 119/4885

“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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