SCHEMBL790359

SCHEMBL790359

CC(C)N[C@H](C(=O)OC(C)C)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
CA12 O43570 3/20 0.38
CA14 Q9ULX7 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.33
HCAR2 Q8TDS4 1/20 0.31
CA9 Q16790 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL790024 1.00 TSHR (0.39) TSHRCA12CA14SMN1; SMN2HCAR2
SCHEMBL790105 1.00 TSHR (0.39) TSHRCA12CA14SMN1; SMN2HCAR2
SCHEMBL18649396 0.87 TSHR (0.36) TSHRCA12CA14SMN1; SMN2
SCHEMBL19764851 0.84 TSHR (0.37) TSHRCA12HCAR2CA9CA1
SCHEMBL22503374 0.83
SCHEMBL18879824 0.83
SCHEMBL13808473 0.81 CA14 (0.56) TSHRCA12CA14SMN1; SMN2CA9
SCHEMBL13197416 0.81 CA14 (0.56) TSHRCA12CA14SMN1; SMN2CA9
SCHEMBL10289198 0.81 CA14 (0.56) TSHRCA12CA14SMN1; SMN2CA9
SCHEMBL18474777 0.79

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 72 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-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-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-10793591-B2 Substituted nucleosides, nucleotides and analogs thereof Janssen Biopharma, Inc. (US) 2020-10-06 US disclosed
US-10780105-B2 Substituted nucleosides, nucleotides and analogs thereof Janssen Biopharma, Inc. (US) 2020-09-22 US disclosed
US-20200277321-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALAOGS THEREOF Janssen Pharmaceuticals, Inc. 2020-09-03 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-8871737-B2 Substituted nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2014-10-28 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-20130165400-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. (US) 2013-06-27 US disclosed
US-20120070411-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-22 US disclosed
US-20120071434-A1 SUBSTITUTED 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 (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-20140179910-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C2 TSHR 2960/4885CA12 4861/4885CA14 4746/4885
US-20140179627-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C2 TSHR 2960/4885CA12 4861/4885CA14 4746/4885
US-20230167151-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C2 TSHR 2960/4885CA12 4861/4885CA14 4746/4885
US-20130165400-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, ADAR TSHR 3355/4885CA12 4763/4885CA14 4206/4885
US-20150051167-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, ADAR TSHR 3355/4885CA12 4763/4885CA14 4206/4885
US-20150105341-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, NUDT1 TSHR 2312/4885CA12 4814/4885CA14 4656/4885
US-20210179656-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, ADAR TSHR 3355/4885CA12 4763/4885CA14 4206/4885
US-20120071434-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NUDT1, TYMP TSHR 2346/4885CA12 4862/4885CA14 4763/4885
US-20200277321-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALAOGS THEREOF PNP, RNGTT, NT5C3B TSHR 3939/4885CA12 1877/4885CA14 1941/4885
US-11773126-B2 Substituted nucleosides, nucleotides and analogs thereof PNP, TYMP, SLC29A1 TSHR 3061/4885CA12 3264/4885CA14 2317/4885
US-20210139523-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C2 TSHR 2960/4885CA12 4861/4885CA14 4746/4885
US-20120070411-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NTPCR, NUDT1 TSHR 3446/4885CA12 4443/4885CA14 3689/4885
US-10780105-B2 Substituted nucleosides, nucleotides and analogs thereof PNP, NUDT1, NT5C3B TSHR 2178/4885CA12 4811/4885CA14 4417/4885
US-11149049-B2 Substituted nucleosides, nucleotides and analogs thereof PNP, TYMP, SLC29A1 TSHR 3061/4885CA12 3264/4885CA14 2317/4885
US-20150005251-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, NT5C2 TSHR 3730/4885CA12 4747/4885CA14 3921/4885
US-20150011497-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B TSHR 4075/4885CA12 4822/4885CA14 4664/4885
US-10793591-B2 Substituted nucleosides, nucleotides and analogs thereof PNP, NUDT1, NT5C2 TSHR 2960/4885CA12 4861/4885CA14 4746/4885
US-20210106604-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B TSHR 2178/4885CA12 4811/4885CA14 4417/4885

“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.