SCHEMBL2582437

SCHEMBL2582437

O=c1[nH]c(=O)n([C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](O)[C@H]2OC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TYMP P19971 13/20 0.45
TK2 O00142 1/20 0.43
DNPH1 O43598 1/20 0.42
HSP90AA1 P07900 1/20 0.41
P2RY2 P41231 1/20 0.39
UPP1 Q16831 1/20 0.38
TK1 P04183 1/20 0.38

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
SCHEMBL2583363 0.93 TYMP (0.45) TYMPTK2DNPH1HSP90AA1P2RY2
SCHEMBL2583145 0.91 TK1 (0.48) TYMPTK2DNPH1HSP90AA1TK1
SCHEMBL2589840 0.89 HSP90AA1 (0.41) TYMPTK2DNPH1HSP90AA1P2RY2
SCHEMBL2580419 0.89 TYMP (0.45) TYMPTK2DNPH1HSP90AA1TK1
SCHEMBL2583450 0.88 HSP90AA1 (0.41) TYMPTK2DNPH1HSP90AA1P2RY2
SCHEMBL2575263 0.86 TK2 (0.47) TYMPTK2TK1
SCHEMBL2803432 0.86 PYGM (0.49) TYMPTK2HSP90AA1P2RY2
SCHEMBL2577944 0.86 PYGM (0.49) TYMPTK2HSP90AA1P2RY2
SCHEMBL2801918 0.86 HSP90AA1 (0.56) TYMPTK2HSP90AA1
SCHEMBL2585410 0.86 PYGM (0.49) TYMPTK2HSP90AA1P2RY2TK1

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
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PHARMASSET, INC. 2011-11-03 US disclosed
EP-1411954-B1 MODIFIED NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION PHARMASSET INC (US) 2010-12-15 EP 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 TYMP 39/4885TK2 149/4885DNPH1 1915/4885
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PNP, ALPP, XDH TYMP 19/4885TK2 261/4885DNPH1 1460/4885
US-10100076-B2 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, SLC29A2, PNP TYMP 33/4885TK2 159/4885DNPH1 2771/4885
US-20030087873-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, PNP, SLC29A2 TYMP 42/4885TK2 190/4885DNPH1 2160/4885

“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.