SCHEMBL2585761

SCHEMBL2585761

CC(=O)OC[C@H]1O[C@@H](n2cc(Br)c(N)nc2=O)[C@H](OC(C)=O)[C@H]1OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 18/20 0.46
CA2 P00918 18/20 0.46
CA12 O43570 15/20 0.46
CA9 Q16790 14/20 0.46
CA14 Q9ULX7 11/20 0.46
ALDH1A1 P00352 1/20 0.42
CA4 P22748 4/20 0.42
CA5A P35218 4/20 0.42
CA7 P43166 4/20 0.42
CA5B Q9Y2D0 4/20 0.42

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
SCHEMBL2583240 0.92 CA1 (0.46) CA1CA2CA12CA9CA14
SCHEMBL2583687 0.90 CA1 (0.44) CA1CA2CA12CA9CA14
SCHEMBL2577665 0.90 CA1 (0.44) CA1CA2CA12CA9CA14
SCHEMBL2580780 0.90 CA1 (0.44) CA1CA2CA12CA9CA14
SCHEMBL2584888 0.90 CA1 (0.44) CA1CA2CA12CA9CA14
SCHEMBL2578963 0.90 CA1 (0.44) CA1CA2CA12CA9CA14
SCHEMBL2584684 0.90 CA1 (0.44) CA1CA2CA12CA9CA14
SCHEMBL2587516 0.89 CA1 (0.43) CA1CA2CA12CA9CA14
SCHEMBL2580746 0.89 CA1 (0.43) CA1CA2CA12CA9CA14
SCHEMBL2581530 0.88 CA1 (0.42) CA1CA2CA12CA9CA14

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 8 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
US-20030087873-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation PHARMASSET, INC. 2003-05-08 US 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 (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 CA1 3048/4885CA2 1194/4885CA12 1446/4885
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PNP, ALPP, XDH CA1 3574/4885CA2 906/4885CA12 1232/4885
US-10100076-B2 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, SLC29A2, PNP CA1 3469/4885CA2 1911/4885CA12 2513/4885
US-20030087873-A1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation SLC29A1, PNP, SLC29A2 CA1 3061/4885CA2 1279/4885CA12 1506/4885

“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.