SCHEMBL1417618

SCHEMBL1417618

C=CCOC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 6/20 0.51
TK1 P04183 5/20 0.47
RNASE1 P07998 1/20 0.45

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
SCHEMBL6926302 1.00 TOP2A (0.51) TOP2ATK1RNASE1
SCHEMBL8424549 0.89 TOP2A (0.52) TOP2ATK1RNASE1
SCHEMBL24059189 0.89 TOP2A (0.54) TOP2ATK1RNASE1
SCHEMBL8428577 0.89 TOP2A (0.51) TOP2ATK1RNASE1
SCHEMBL6827410 0.87 TOP2A (0.52) TOP2ATK1RNASE1
SCHEMBL1514947 0.87 TOP2A (0.65) TOP2ATK1RNASE1
SCHEMBL26231578 0.87 TOP2A (0.65) TOP2ATK1RNASE1
SCHEMBL12762676 0.87 TOP2A (0.65) TOP2ATK1RNASE1
SCHEMBL21563908 0.87 TOP2A (0.65) TOP2ATK1RNASE1
SCHEMBL24059082 0.87 TOP2A (0.55) TOP2ATK1RNASE1

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
EP-2298783-B1 Anti-viral nucleoside analogs and methods for treating viral infections, especially hiv infections UNIV YALE (US) 2017-12-06 EP disclosed
US-9126971-B2 Anti-viral nucleoside analogs and methods for treating viral infections, especially HIV infections YALE UNIVERSITY (US) 2015-09-08 US disclosed
US-20120252751-A1 ANTI-VIRAL NUCLEOSIDE ANALOGS AND METHODS FOR TREATING VIRAL INFECTIONS, ESPECIALLY HIV INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-10-04 US disclosed
US-8193165-B2 Anti-viral nucleoside analogs and methods for treating viral infections, especially HIV infections YALE UNIVERSITY (US) 2012-06-05 US disclosed
EP-2298783-A1 Anti-viral nucleoside analogs and methods for treating viral infections, especially hiv infections Yale University (US) 2011-03-23 EP disclosed
US-20100048500-A1 Anti-viral nucleoside analogs and methods for treating viral infections, especially HIV infections NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-02-25 US disclosed
US-7589078-B2 Using a dideoxy and didehydro nucleoside YALE UNIVERSITY (US) 2009-09-15 US disclosed
US-20040167096-A1 Anti-viral nucleoside analogs and methods for treating viral infections, especially HIV infections YALE UNIVERSITY 2004-08-26 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-20100048500-A1 Anti-viral nucleoside analogs and methods for treating viral infections, especially HIV infections TYMP, ITPA, SAMHD1 TOP2A 144/4885TK1 91/4885RNASE1 185/4885
US-20120252751-A1 ANTI-VIRAL NUCLEOSIDE ANALOGS AND METHODS FOR TREATING VIRAL INFECTIONS, ESPECIALLY HIV INFECTIONS TYMP, ITPA, SAMHD1 TOP2A 144/4885TK1 91/4885RNASE1 185/4885
US-20040167096-A1 Anti-viral nucleoside analogs and methods for treating viral infections, especially HIV infections CCR1, CCR4, CCR3 TOP2A 1228/4885TK1 92/4885RNASE1 343/4885

“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.