SCHEMBL784245

SCHEMBL784245

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
CA14 Q9ULX7 4/20 0.33
TDP1 Q9NUW8 2/20 0.33
HCAR2 Q8TDS4 1/20 0.33
CA12 O43570 4/20 0.33
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
CA9 Q16790 4/20 0.33
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CA7 P43166 3/20 0.30
LMNA P02545 2/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL784283 1.00 TSHR (0.42) TSHRPPARGNCOA2NCOA1RXFP1
SCHEMBL784179 1.00 TSHR (0.42) TSHRPPARGNCOA2NCOA1RXFP1
Hydrochloric Acid SCHEMBL23859870 0.98 TSHR (0.40) TSHRPPARGNCOA2NCOA1RXFP1
SCHEMBL20222489 0.82 FAAH (0.30) PPARGNCOA2NCOA1RXFP1NCOA3
SCHEMBL20755828 0.82 FAAH (0.30) PPARGNCOA2NCOA1RXFP1NCOA3
SCHEMBL21063955 0.80
SCHEMBL18877172 0.80
SCHEMBL25504658 0.80 TSHR (0.42) TSHRPPARGNCOA2NCOA1RXFP1
SCHEMBL18087176 0.79 KLK7 (0.31) CA14
SCHEMBL19764851 0.79 TSHR (0.37) TSHRHCAR2CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216513-A1 FATTY ACID-BIFUNCTIONAL DEGRADER CONJUGATES AND THEIR METHODS OF USE NOVARTIS AG (CH) 2024-07-04 US disclosed
US-11773126-B2 Substituted nucleosides, nucleotides and analogs thereof Janssen Pharmaceuticals, Inc. (US) 2023-10-03 US disclosed
EP-3621624-B1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME LLC (US) 2023-08-30 EP 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-20220033435-A1 Cyclic Di-Nucleotide Compounds as STING Agonists MERCK SHARP & DOHME CORP. (US) 2022-02-03 US disclosed
US-20210206796-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2021-07-08 US disclosed
US-20210139523-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. (US) 2021-05-13 US disclosed
US-20200392169-A1 ACYCLIC ANTIVIRALS JANSSEN BIOPHARMA, LLC 2020-12-17 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-20140364446-A1 1',4'-THIO NUCLEOSIDES FOR THE TREATMENT OF HCV UNIVERSITE DE MONTPELLIER (FR) 2014-12-11 US disclosed
US-8877731-B2 Azido nucleosides and nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2014-11-04 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
US-20120070415-A1 AZIDO NUCLEOSIDES AND 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 (17 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 3401/4885PPARG 2592/4885NCOA2 2581/4885
US-20140179910-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C2 TSHR 2960/4885PPARG 1401/4885NCOA2 2954/4885
US-20140179627-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C2 TSHR 2960/4885PPARG 1401/4885NCOA2 2954/4885
US-20230167151-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C2 TSHR 2960/4885PPARG 1401/4885NCOA2 2954/4885
US-20240216513-A1 FATTY ACID-BIFUNCTIONAL DEGRADER CONJUGATES AND THEIR METHODS OF USE FASN, FABP1, SCD TSHR 2284/4885PPARG 235/4885NCOA2 302/4885
US-20130165400-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, ADAR TSHR 3355/4885PPARG 2348/4885NCOA2 3426/4885
US-20210206796-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 TSHR 2299/4885PPARG 3891/4885NCOA2 1864/4885
US-20220033435-A1 Cyclic Di-Nucleotide Compounds as STING Agonists STING1, CGAS, IFNAR1 TSHR 2059/4885PPARG 4057/4885NCOA2 2049/4885
US-20200392169-A1 ACYCLIC ANTIVIRALS PNP, DUT, TYMP TSHR 3401/4885PPARG 2592/4885NCOA2 2581/4885
US-20150051167-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, ADAR TSHR 3355/4885PPARG 2348/4885NCOA2 3426/4885
US-20150105341-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, NUDT1 TSHR 2312/4885PPARG 1305/4885NCOA2 3339/4885
US-20140364446-A1 1',4'-THIO NUCLEOSIDES FOR THE TREATMENT OF HCV SLC29A1, SLC28A1, TPMT TSHR 1706/4885PPARG 1617/4885NCOA2 2515/4885
US-11773126-B2 Substituted nucleosides, nucleotides and analogs thereof PNP, TYMP, SLC29A1 TSHR 3061/4885PPARG 1944/4885NCOA2 3607/4885
US-20210139523-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C2 TSHR 2960/4885PPARG 1401/4885NCOA2 2954/4885
US-20120070415-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS PNP, ADA, ADAR TSHR 2253/4885PPARG 2370/4885NCOA2 4605/4885
US-20150005251-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, NT5C2 TSHR 3730/4885PPARG 1905/4885NCOA2 3396/4885
US-20150011497-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B TSHR 4075/4885PPARG 2352/4885NCOA2 2995/4885

“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.