SCHEMBL2585799

SCHEMBL2585799

O=c1[nH]c(=O)n([C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](OC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H]2I)cc1C=CBr

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TK2 O00142 11/20 0.49
HSP90AA1 P07900 1/20 0.41
TK1 P04183 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
P2RY2 P41231 1/20 0.40
TYMP P19971 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
SCHEMBL2578393 0.94 TK2 (0.44) TK2HSP90AA1TK1CYP1A2CYP3A4
SCHEMBL2578125 0.94 TK2 (0.42) TK2HSP90AA1TK1CYP1A2CYP3A4
SCHEMBL2579062 0.93 TK2 (0.51) TK2HSP90AA1TK1CYP1A2CYP3A4
SCHEMBL2580968 0.91 TK2 (0.44) TK2HSP90AA1TK1CYP1A2CYP3A4
SCHEMBL2578058 0.91 HSP90AA1 (0.41) TK2HSP90AA1TK1P2RY2TYMP
SCHEMBL2579346 0.90 TK2 (0.57) TK2HSP90AA1TK1CYP1A2CYP3A4
SCHEMBL2581472 0.89 TK2 (0.42) TK2HSP90AA1P2RY2TYMP
SCHEMBL2575472 0.89 TK2 (0.58) TK2HSP90AA1TK1CYP1A2CYP3A4
SCHEMBL2580783 0.88 HSP90AA1 (0.43) TK2HSP90AA1TK1P2RY2TYMP
SCHEMBL2583329 0.87 TK1 (0.45) TK2HSP90AA1TK1P2RY2TYMP

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 5 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
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 TK2 149/4885HSP90AA1 4531/4885TK1 12/4885
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PNP, ALPP, XDH TK2 261/4885HSP90AA1 4329/4885TK1 35/4885
US-10100076-B2 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, SLC29A2, PNP TK2 159/4885HSP90AA1 4602/4885TK1 5/4885
US-20030087873-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, PNP, SLC29A2 TK2 190/4885HSP90AA1 4586/4885TK1 12/4885

“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.