SCHEMBL13020537

SCHEMBL13020537

COC(=O)C(C#N)(COC(C)=O)CC(C)C

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.33
CTSS P25774 1/20 0.31

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
SCHEMBL13020680 0.85 TSHR (0.32) CTSS
SCHEMBL13173686 0.83
SCHEMBL13173277 0.82 ALDH1A1 (0.31)
SCHEMBL383084 0.82 KDM4E (0.32)
SCHEMBL13063974 0.82 ALDH1A1 (0.34)
SCHEMBL13020447 0.81 MMP8 (0.34) MMP8CTSS
SCHEMBL2725840 0.76 MMP8 (0.41) MMP8
SCHEMBL15070162 0.76 MMP8 (0.32) MMP8CTSS
SCHEMBL13020435 0.75 MMP8 (0.38) MMP8
SCHEMBL4968775 0.74 LMNA (0.30)

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-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-20160331770-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. 2016-11-17 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-20100331397-A1 2-5A ANALOGS AND THEIR METHODS OF USE ALIOS BIOPHARMA, INC. (US) 2010-12-30 US disclosed
US-20100331397-A1 2-5A ANALOGS AND THEIR METHODS OF USE ALIOS BIOPHARMA, INC. (US) 2010-12-30 US disclosed
US-20100240604-A1 PROTECTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2010-09-23 US disclosed
US-20080207554-A1 2-5A Analogs and their Methods of Use ALIOS BIOPHARMA, INC. (US) 2008-08-28 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-20180079774-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B MMP8 1799/4885CTSS 3147/4885
US-20100331397-A1 2-5A ANALOGS AND THEIR METHODS OF USE RNASEL, RNASE1, RNASEH1 MMP8 229/4885CTSS 153/4885
US-20160331770-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, ADAR MMP8 2798/4885CTSS 4443/4885
US-20150051167-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, ADAR MMP8 2798/4885CTSS 4443/4885
US-20100240604-A1 PROTECTED NUCLEOTIDE ANALOGS PNP, NTPCR, TYMP MMP8 2432/4885CTSS 2068/4885
US-20080207554-A1 2-5A Analogs and their Methods of Use RNASEL, RNASE1, RNASEH1 MMP8 379/4885CTSS 227/4885
US-20150011497-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B MMP8 1799/4885CTSS 3147/4885

“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.