SCHEMBL804975

SCHEMBL804975

CC(C)NC(C)C(=O)OCC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
NFKB1 P19838 1/20 0.33
ADRA1A P35348 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 1/20 0.33
CTSK P43235 1/20 0.32
HTT P42858 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30
MMP8 P22894 1/20 0.30

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
SCHEMBL15070172 1.00 TSHR (0.33) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL10204952 1.00 TSHR (0.33) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL21078670 0.84
SCHEMBL20756173 0.84
SCHEMBL15074258 0.81 KMT2A (0.33) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL15074250 0.81 KMT2A (0.33) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL10186174 0.81 KMT2A (0.33) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL13471112 0.81 MMP8 (0.34) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL21385578 0.80 TSHR (0.32) TSHR
SCHEMBL18671825 0.79 HTT (0.34) KMT2AHTTGRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11773126-B2 Substituted nucleosides, nucleotides and analogs thereof Janssen Pharmaceuticals, Inc. (US) 2023-10-03 US disclosed
US-20230167151-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF JANSSEN PHARMACEUTICA NV (BE) 2023-06-01 US disclosed
US-20230167151-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF JANSSEN PHARMACEUTICA NV (BE) 2023-06-01 US disclosed
US-11472826-B2 Acyclic antivirals JANSSEN PHARMACEUTICA NV (BE) 2022-10-18 US disclosed
US-20220048912-A1 CYCLOBUTYL NUCLEOSIDE ANALOGS AS ANTI-VIRALS JANSSEN PHARMACEUTICA NV (BE) 2022-02-17 US disclosed
US-11149049-B2 Substituted nucleosides, nucleotides and analogs thereof Janssen Biopharma, Inc. (US) 2021-10-19 US disclosed
US-20210179656-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. (US) 2021-06-17 US disclosed
US-11021509-B2 Substituted nucleosides, nucleotides and analogs thereof Janssen Biopharma, Inc. (US) 2021-06-01 US disclosed
US-20210139523-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. (US) 2021-05-13 US disclosed
US-20210106604-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2021-04-15 US disclosed
US-20150366887-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2015-12-24 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-20150105341-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2015-04-16 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-20150005251-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF JANSSEN PHARMACEUTICA NV 2015-01-01 US disclosed
US-20140179910-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. (US) 2014-06-26 US disclosed
US-20140179627-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. (US) 2014-06-26 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 (18 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-11472826-B2 Acyclic antivirals PNP, DUT, TYMP TSHR 3401/4885LMNA 2149/4885CYP3A4 1399/4885
US-20140179910-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C2 TSHR 2960/4885LMNA 2079/4885CYP3A4 2406/4885
US-20140179627-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C2 TSHR 2960/4885LMNA 2079/4885CYP3A4 2406/4885
US-20230167151-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C2 TSHR 2960/4885LMNA 2079/4885CYP3A4 2406/4885
US-11021509-B2 Substituted nucleosides, nucleotides and analogs thereof PNP, NT5C3B, ADAR TSHR 3355/4885LMNA 961/4885CYP3A4 3213/4885
US-20130165400-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, ADAR TSHR 3355/4885LMNA 961/4885CYP3A4 3213/4885
US-20150051167-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, ADAR TSHR 3355/4885LMNA 961/4885CYP3A4 3213/4885
US-20150105341-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, NUDT1 TSHR 2312/4885LMNA 1060/4885CYP3A4 3019/4885
US-20210179656-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, ADAR TSHR 3355/4885LMNA 961/4885CYP3A4 3213/4885
US-11773126-B2 Substituted nucleosides, nucleotides and analogs thereof PNP, TYMP, SLC29A1 TSHR 3061/4885LMNA 967/4885CYP3A4 600/4885
US-20150366887-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B TSHR 2178/4885LMNA 1273/4885CYP3A4 3066/4885
US-20210139523-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C2 TSHR 2960/4885LMNA 2079/4885CYP3A4 2406/4885
US-20220048912-A1 CYCLOBUTYL NUCLEOSIDE ANALOGS AS ANTI-VIRALS TYMP, POLB, HMBS TSHR 4356/4885LMNA 1011/4885CYP3A4 743/4885
US-11149049-B2 Substituted nucleosides, nucleotides and analogs thereof PNP, TYMP, SLC29A1 TSHR 3061/4885LMNA 967/4885CYP3A4 600/4885
US-20150315228-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, ADAR TSHR 3355/4885LMNA 961/4885CYP3A4 3213/4885
US-20150005251-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, NT5C2 TSHR 3730/4885LMNA 586/4885CYP3A4 2625/4885
US-20150011497-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B TSHR 4075/4885LMNA 1356/4885CYP3A4 1390/4885
US-20210106604-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B TSHR 2178/4885LMNA 1273/4885CYP3A4 3066/4885

“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.