SCHEMBL2585211

SCHEMBL2585211

COC(=O)OC[C@@H]1C[C@@H](OC(C)=O)[C@H](n2cnc3ncnc-3c2OC)O1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.30
PRKAB2 O43741 1/20 0.30
PRKAG1 P54619 1/20 0.30
PRKAA2 P54646 1/20 0.30
PRKAA1 Q13131 1/20 0.30
PRKAG3 Q9UGI9 1/20 0.30
PRKAG2 Q9UGJ0 1/20 0.30
PRKAB1 Q9Y478 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL2580989 0.93 LMNA (0.35) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL2584381 0.89 PRKAB2 (0.31) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL2578077 0.89 ACHE (0.34) ACHEPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL2580187 0.83 TLR7 (0.31)
SCHEMBL2584744 0.83 PRMT6 (0.35) ACHEPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL2586123 0.81 ALDH1A1 (0.34) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL2580396 0.81 LMNA (0.39) ACHEPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL2581382 0.81 ALDH1A1 (0.33) ACHEALDH1A1LMNATP53MAPT
SCHEMBL2583101 0.79 ALDH1A1 (0.30) ALDH1A1LMNATP53MAPTTDP1
SCHEMBL2588179 0.77 ACHE (0.32) ACHEALDH1A1LMNATP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10100076-B2 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation GILEAD PHARMASSET LLC (US) 2018-10-16 US disclosed
US-20140057863-A1 MODIFIED NUCLEOSIDES FOR THE TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION GILEAD SCIENCES, INC. (US) 2014-02-27 US disclosed
EP-2251015-B1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation GILEAD PHARMASSET LLC (US) 2013-02-20 EP disclosed
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PHARMASSET, INC. 2011-11-03 US disclosed
EP-2251015-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation Pharmasset, Inc. (US) 2010-11-17 EP disclosed
US-20030087873-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation PHARMASSET, INC. 2003-05-08 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-20140057863-A1 MODIFIED NUCLEOSIDES FOR THE TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION SLC29A1, PNP, SLC29A2 ACHE 2146/4885PRKAB2 3248/4885PRKAG1 3728/4885
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PNP, ALPP, XDH ACHE 1642/4885PRKAB2 2956/4885PRKAG1 3535/4885
US-10100076-B2 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, SLC29A2, PNP ACHE 2091/4885PRKAB2 3714/4885PRKAG1 3961/4885
US-20030087873-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, PNP, SLC29A2 ACHE 2058/4885PRKAB2 3479/4885PRKAG1 3892/4885

“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.