SCHEMBL769173

SCHEMBL769173

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 3/20 0.36
TSHR P16473 1/20 0.36
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
FBP1 P09467 1/20 0.32
CTSA P10619 1/20 0.30
ACHE P22303 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
SCHEMBL13471227 0.88 BTN3A1 (0.36) BTN3A1TSHRPPARGNCOA2NCOA1
SCHEMBL28121930 0.88 BTN3A1 (0.36) BTN3A1TSHRPPARGNCOA2NCOA1
SCHEMBL20249575 0.86 BTN3A1 (0.36) BTN3A1TSHRPPARGNCOA2NCOA1
SCHEMBL16368121 0.86 BTN3A1 (0.39) BTN3A1TSHRPPARGNCOA2NCOA1
SCHEMBL15837310 0.86 BTN3A1 (0.39) BTN3A1TSHRPPARGNCOA2NCOA1
SCHEMBL20249592 0.86 BTN3A1 (0.36) BTN3A1TSHRPPARGNCOA2NCOA1
SCHEMBL13471051 0.83 BTN3A1 (0.34) BTN3A1PPARGNCOA2NCOA1RXFP1
SCHEMBL31211706 0.83 ACE (0.41) BTN3A1TSHRPPARGNCOA2NCOA1
SCHEMBL28197101 0.82 BTN3A1 (0.34) BTN3A1TSHRPPARGNCOA2NCOA1
SCHEMBL16248429 0.82 TSHR (0.34) BTN3A1TSHRPPARGNCOA2NCOA1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2619215-B1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA INC (US) 2018-09-05 EP disclosed
US-20160264610-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA INC (US) 2016-09-15 US disclosed
US-9346848-B2 Azido nucleosides and nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2016-05-24 US disclosed
US-9156872-B2 2′-azido substituted nucleoside derivatives and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2015-10-13 US disclosed
US-20150183819-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. 2015-07-02 US disclosed
US-8877731-B2 Azido nucleosides and nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2014-11-04 US disclosed
US-20140206640-A1 2'-AZIDO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2014-07-24 US disclosed
US-20140206640-A1 2'-AZIDO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2014-07-24 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 (4 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-20160264610-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS PNP, ADA, ADAR BTN3A1 3276/4885TSHR 2253/4885PPARG 2370/4885
US-20140206640-A1 2'-AZIDO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ADAR, SLC29A1, SLC28A1 BTN3A1 2526/4885TSHR 2290/4885PPARG 3632/4885
US-20120070415-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS PNP, ADA, ADAR BTN3A1 3276/4885TSHR 2253/4885PPARG 2370/4885
US-20150183819-A1 AZIDO NUCLEOSIDES AND NUCLEOTIDE ANALOGS PNP, ADA, ADAR BTN3A1 3276/4885TSHR 2253/4885PPARG 2370/4885

“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.