SCHEMBL5358550

SCHEMBL5358550

COC[C@H]1O[C@@H](OC)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
ALDH1A1 P00352 2/20 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
SCHEMBL5695104 1.00 CA2 (0.40) CA2CA1CA9ALDH1A1
SCHEMBL5367628 1.00 CA2 (0.40) CA2CA1CA9ALDH1A1
SCHEMBL10305250 1.00 CA2 (0.40) CA2CA1CA9ALDH1A1
SCHEMBL7154436 0.88 CA2 (0.37) CA2CA1CA9ALDH1A1
SCHEMBL7148630 0.88 CA2 (0.37) CA2CA1CA9ALDH1A1
SCHEMBL7215069 0.86 CA2 (0.38) CA2CA1CA9ALDH1A1
SCHEMBL13452860 0.86 CA2 (0.41) CA2CA1CA9ALDH1A1
SCHEMBL1526766 0.86 CA2 (0.41) CA2CA1CA9ALDH1A1
SCHEMBL5354914 0.84 CA2 (0.37) CA2CA1CA9ALDH1A1
SCHEMBL5355528 0.84 CA2 (0.37) CA2CA1CA9ALDH1A1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172321-A1 HSP90 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-05 US disclosed
US-7189706-B2 C2,5′-disubstituted and N6,C2,5′-trisubstituted adenosine derivatives and pharmaceutical compositions containing them UNIVERSITEIT LEIDEN (NL) 2007-03-13 US disclosed
US-7084127-B2 C2,5′-disubstituted and N6, C2,5′-trisubstituted adenosine derivatives and their different uses UNIVERSITEIT LEIDEN (NL) 2006-08-01 US disclosed
EP-1121372-B1 ADENINE DERIVATIVES PFIZER LTD (GB) 2006-06-28 EP disclosed
CN-1259332-C C2,5'-disubstituted and N6, C2, 5' trisubstituted adenosine derivatives and their different uses UNIV LEIDEN (NL) 2006-06-14 CN disclosed
CN-1537115-A C2,5'-disubstituted and N6, C2, 5' trisubstituted adenosine derivatives and their different uses 莱顿大学 2004-10-13 CN disclosed
EP-1030856-B1 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2004-08-18 EP disclosed
US-20040132686-A1 C2,5'- disubstituted and N6, c2,5'- trisubstituted adenosine derivatives and their different uses UNIVERSITEIT LEIDEN (NL) 2004-07-08 US disclosed
US-20040127452-A1 C2,5'-disubstituted and N6,C2,5'-trisubstituted adenosine derivatives and pharmaceutical compositions containing them UNIVERSITEIT LEIDEN (NL) 2004-07-01 US disclosed
US-6740644-B2 ADENOSINE DERIVATIVES, AGONISTS AT THE ADENOSINE A1 RECEPTOR SMITHKLINE BEECHAM CORPORATION 2004-05-25 US disclosed
US-6544960-B1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2003-04-08 US disclosed
EP-0901499-B1 ADENOSINE DERIVATIVES GLAXO GROUP LTD (GB) 2002-04-10 EP disclosed
US-6326359-B1 PURINE DERIVATIVES PFIZER INC 2001-12-04 US disclosed
EP-1030856-A2 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2000-08-30 EP disclosed
WO-1999024451-A2 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 1999-05-20 WO disclosed
EP-0901499-A1 ADENOSINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-03-17 EP disclosed
WO-1997043300-A1 ADENOSINE DERIVATIVES GLAXO GROUP LIMITED (GB) 1997-11-20 WO disclosed
WO-1997033590-A1 A METHOD OF TREATING DISORDERS RELATED TO CYTOKINES IN MAMMALS NOVO NORDISK A/S (DK) 1997-09-18 WO disclosed
WO-1997033591-A1 A METHOD OF TREATING DISORDERS RELATED TO CYTOKINES IN MAMMALS NOVO NORDISK A/S (DK) 1997-09-18 WO disclosed
US-5589467-A TREATING CENTRAL NERVOUS SYSTEM DISORDERS NOVO NORDISK A/S (DK) 1996-12-31 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 (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-20040127452-A1 C2,5'-disubstituted and N6,C2,5'-trisubstituted adenosine derivatives and pharmaceutical compositions containing them ADORA2A, ADORA3, ADORA1 CA2 1681/4885CA1 4117/4885CA9 3524/4885
US-20040132686-A1 C2,5'- disubstituted and N6, c2,5'- trisubstituted adenosine derivatives and their different uses ADORA2A, ADORA3, ADORA1 CA2 2060/4885CA1 4122/4885CA9 3882/4885
US-20120172321-A1 HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90B1 CA2 4094/4885CA1 4587/4885CA9 4567/4885

“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.