Sugi Predict

Sugi Predict / Compounds / SCHEMBL2801918

SCHEMBL2801918

SCHEMBL2801918

O=c1[nH]c(=O)n([C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](O)[C@H]2OC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1F

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.56
▸ P2RY6 Q15077 2/20 0.48
▸ P2RY14 Q15391 2/20 0.48
▸ NT5E P21589 1/20 0.48
▸ TYMP P19971 10/20 0.47
▸ LMNA P02545 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ PMP22 Q01453 1/20 0.44
▸ HBB P68871 1/20 0.44
▸ TK2 O00142 1/20 0.41

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
SCHEMBL2580552 0.93 HSP90AA1 (0.56) HSP90AA1P2RY6P2RY14NT5ETYMP
SCHEMBL9229289 0.90 HSP90AA1 (0.60) HSP90AA1P2RY6P2RY14NT5ETYMP
SCHEMBL9229284 0.90 HSP90AA1 (0.60) HSP90AA1P2RY6P2RY14NT5ETYMP
SCHEMBL8542375 0.89 HSP90AA1 (0.59) HSP90AA1P2RY6P2RY14NT5ETYMP
SCHEMBL7805446 0.89 HSP90AA1 (0.59) HSP90AA1P2RY6P2RY14NT5ETYMP
SCHEMBL2585662 0.89 HSP90AA1 (0.56) HSP90AA1P2RY6P2RY14NT5ETYMP
SCHEMBL2575263 0.89 TK2 (0.47) TYMPTK2
SCHEMBL2803432 0.89 PYGM (0.49) HSP90AA1P2RY6P2RY14TYMPTK2
SCHEMBL2577944 0.89 PYGM (0.49) HSP90AA1P2RY6TYMPTK2
SCHEMBL2585410 0.89 PYGM (0.49) HSP90AA1P2RY6P2RY14TYMPTK2

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
EP-2251015-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation Pharmasset, Inc. (US) 2010-11-17 — — EP disclosed
EP-1411954-A2 MODIFIED NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION Pharmasset Limited (BB) 2004-04-28 — — EP disclosed
WO-2002032920-A2 MODIFIED NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION PHARMASSET LIMITED (BB) 2002-04-25 — — WO 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 (2 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 HSP90AA1 4531/4885P2RY6 221/4885P2RY14 287/4885
US-10100076-B2 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, SLC29A2, PNP HSP90AA1 4602/4885P2RY6 318/4885P2RY14 365/4885

“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.