SCHEMBL805156

SCHEMBL805156

CNC(C(=O)OC(C)C)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
CA12 O43570 4/20 0.39
CA14 Q9ULX7 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.34
CA9 Q16790 3/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 2/20 0.33
HCAR2 Q8TDS4 1/20 0.32
DPP4 P27487 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PPARG P37231 1/20 0.30
NCOA2 Q15596 1/20 0.30
NCOA1 Q15788 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
NCOA3 Q9Y6Q9 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
SCHEMBL15074331 1.00 TSHR (0.40) TSHRCA12CA14SMN1; SMN2CA9
SCHEMBL15074332 1.00 TSHR (0.40) TSHRCA12CA14SMN1; SMN2CA9
SCHEMBL13046566 0.80 CA12 (0.35) TSHRCA12CA14SMN1; SMN2DPP4
SCHEMBL13204470 0.80 CA14 (0.58) TSHRCA12CA14SMN1; SMN2CA9
SCHEMBL6966533 0.80 CA14 (0.58) TSHRCA12CA14SMN1; SMN2CA9
SCHEMBL7274381 0.80 CA14 (0.58) TSHRCA12CA14SMN1; SMN2CA9
SCHEMBL790359 0.79 TSHR (0.39) TSHRCA12CA14SMN1; SMN2CA9
SCHEMBL790105 0.79 TSHR (0.39) TSHRCA12CA14SMN1; SMN2CA9
SCHEMBL790024 0.79 TSHR (0.39) TSHRCA12CA14SMN1; SMN2CA9
SCHEMBL16377063 0.79 ALDH1A1 (0.39) TSHRCA12CA9CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3013340-B9 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF JANSSEN PHARMACEUTICALS INC (US) 2023-10-04 EP disclosed
EP-3013340-B1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF JANSSEN BIOPHARMA INC (US) 2023-06-07 EP disclosed
EP-3912984-A1 4'-FLUORO-NUCLEOSIDES, 4'-FLUORO-NUCLEOTIDES AND ANALOGS THEREOF FOR THE TREATMENT OF HCV Janssen BioPharma, Inc. (US) 2021-11-24 EP disclosed
EP-3797782-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF FOR USE IN THE TREATMENT OF VIRAL INFECTIONS Janssen BioPharma, Inc. (US) 2021-03-31 EP disclosed
EP-2935303-B1 4'-FLUORO-NUCLEOSIDES, 4'-FLUORO-NUCLEOTIDES AND ANALOGS THEREOF FOR THE TREATMENT OF HCV JANSSEN BIOPHARMA INC (US) 2021-02-17 EP disclosed
EP-3160476-B1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF FOR USE IN THE TREATMENT OF VIRAL INFECTION JANSSEN BIOPHARMA INC (US) 2020-09-30 EP disclosed
EP-3424938-B1 4'-AZIDOALKYL-SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF JANSSEN BIOPHARMA INC (US) 2020-07-22 EP disclosed
WO-2020121122-A1 CYCLOBUTYL NUCLEOSIDE ANALOGS AS ANTI-VIRALS Janssen Biopharma, Inc. (US) 2020-06-18 WO disclosed
WO-2020121123-A2 CYCLOPENTYL NUCLEOSIDE ANALOGS AS ANTI-VIRALS Janssen Biopharma, Inc. (US) 2020-06-18 WO disclosed
EP-3466959-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen BioPharma, Inc. (US) 2019-04-10 EP 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-8772474-B2 Cyclic nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2014-07-08 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-20130252920-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A THIONUCLEOTIDE ANALOG VERTEX PHARMACEUTICALS INC. (US) 2013-09-26 US disclosed
US-20130165400-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. (US) 2013-06-27 US disclosed
US-20130164261-A1 SUBSTITUTED NUCLEOTIDE ANALOGS 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 (8 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-20130165400-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, ADAR TSHR 3355/4885CA12 4763/4885CA14 4206/4885
US-20130164261-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NUDT1, TYMP TSHR 2346/4885CA12 4862/4885CA14 4763/4885
US-20120071434-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NUDT1, TYMP TSHR 2346/4885CA12 4862/4885CA14 4763/4885
US-20120070411-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NTPCR, NUDT1 TSHR 3446/4885CA12 4443/4885CA14 3689/4885
US-20130252920-A1 PHARMACEUTICAL COMBINATIONS COMPRISING A THIONUCLEOTIDE ANALOG TYMP, POLN, POLRMT TSHR 1231/4885CA12 4257/4885CA14 3722/4885
US-20150005251-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, NT5C2 TSHR 3730/4885CA12 4747/4885CA14 3921/4885

“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.