SCHEMBL2584552

SCHEMBL2584552

COC(=O)OC[C@@H]1C[C@@H](OC(C)=O)[C@H](n2cc(Br)c(=O)[nH]c2=O)O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGM P11217 1/20 0.41
P2RY6 Q15077 3/20 0.39
P2RY2 P41231 2/20 0.35
P2RY4 P51582 1/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KMT2A Q03164 1/20 0.35
TK1 P04183 2/20 0.35
LMNA P02545 2/20 0.34
ALB P02768 1/20 0.34
ADRA1A P35348 1/20 0.34
BLM P54132 1/20 0.34
RNASE1 P07998 1/20 0.34
THRB P10828 1/20 0.33
HIF1A Q16665 1/20 0.33
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA4 P48058 1/20 0.33
GRIK5 Q16478 1/20 0.33

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
SCHEMBL2575175 0.92 PYGM (0.43) PYGMP2RY6P2RY2P2RY4ALDH1A1
SCHEMBL2575179 0.92 PYGM (0.43) PYGMP2RY6P2RY2P2RY4ALDH1A1
SCHEMBL2580988 0.90 ALDH1A1 (0.44) ALDH1A1POLBTK1LMNAALB
SCHEMBL2583581 0.89 PYGM (0.41) PYGMP2RY6ALDH1A1POLBSMN1; SMN2
SCHEMBL2583489 0.89 LMNA (0.43) P2RY6ALDH1A1POLBSMN1; SMN2TK1
SCHEMBL2577510 0.89 TK2 (0.36) TK1
SCHEMBL2584755 0.89 PYGM (0.41) PYGMP2RY6ALDH1A1POLBSMN1; SMN2
SCHEMBL2585608 0.89 HTT (0.37) ALDH1A1POLBSMN1; SMN2KMT2ATK1
SCHEMBL2585640 0.88 TK1 (0.33) ALDH1A1POLBSMN1; SMN2TK1LMNA
SCHEMBL2584584 0.88 RNASE1 (0.35) ALDH1A1POLBSMN1; SMN2TK1LMNA

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 7 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
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 (3 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 PYGM 89/4885P2RY6 221/4885P2RY2 351/4885
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PNP, ALPP, XDH PYGM 4/4885P2RY6 377/4885P2RY2 492/4885
US-10100076-B2 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, SLC29A2, PNP PYGM 99/4885P2RY6 318/4885P2RY2 554/4885

“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.