SCHEMBL2575179

SCHEMBL2575179

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PYGM P11217 1/20 0.43
P2RY6 Q15077 3/20 0.41
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
P2RY2 P41231 2/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 2/20 0.37
P2RY4 P51582 1/20 0.37
THRB P10828 1/20 0.37
HIF1A Q16665 1/20 0.37
KMT2A Q03164 1/20 0.37
TK1 P04183 3/20 0.37
RNASE1 P07998 1/20 0.36
ALB P02768 1/20 0.34
ADRA1A P35348 1/20 0.34
BLM P54132 1/20 0.34
SQOR Q9Y6N5 1/20 0.34

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 1.00 PYGM (0.43) PYGMP2RY6ALDH1A1SMN1; SMN2P2RY2
SCHEMBL2584552 0.92 PYGM (0.41) PYGMP2RY6ALDH1A1SMN1; SMN2P2RY2
SCHEMBL2581474 0.89 RNASE1 (0.45) ALDH1A1LMNAPOLBTK1RNASE1
SCHEMBL2581471 0.89 RNASE1 (0.45) ALDH1A1LMNAPOLBTK1RNASE1
SCHEMBL2580677 0.88 PYGM (0.44) PYGMP2RY6ALDH1A1SMN1; SMN2LMNA
SCHEMBL2580676 0.88 PYGM (0.44) PYGMP2RY6ALDH1A1SMN1; SMN2LMNA
SCHEMBL2588114 0.88 KMT2A (0.39) ALDH1A1SMN1; SMN2LMNAPOLBTHRB
SCHEMBL2585686 0.88 PYGM (0.43) PYGMP2RY6ALDH1A1SMN1; SMN2LMNA
SCHEMBL2585372 0.88 LMNA (0.46) P2RY6SMN1; SMN2LMNATHRBHIF1A
SCHEMBL2585374 0.88 LMNA (0.46) P2RY6SMN1; SMN2LMNATHRBHIF1A

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 PYGM 89/4885P2RY6 221/4885ALDH1A1 1466/4885
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PNP, ALPP, XDH PYGM 4/4885P2RY6 377/4885ALDH1A1 2416/4885
US-10100076-B2 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, SLC29A2, PNP PYGM 99/4885P2RY6 318/4885ALDH1A1 1128/4885
US-20030087873-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, PNP, SLC29A2 PYGM 72/4885P2RY6 269/4885ALDH1A1 1367/4885

“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.