SCHEMBL3317630

SCHEMBL3317630

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

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TK1 P04183 6/20 0.41
TOP2A P11388 6/20 0.40

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
SCHEMBL3317625 1.00 TK1 (0.41) TK1TOP2A
SCHEMBL9548870 0.92 TOP2A (0.40) TK1TOP2A
SCHEMBL9548873 0.92 TOP2A (0.40) TK1TOP2A
SCHEMBL1417676 0.89 TK1 (0.45) TK1TOP2A
SCHEMBL12795961 0.89 TK1 (0.45) TK1TOP2A
SCHEMBL1417674 0.89 TK1 (0.45) TK1TOP2A
SCHEMBL1417610 0.89 TK1 (0.45) TK1TOP2A
SCHEMBL3317450 0.84 TK1 (0.43) TK1
SCHEMBL3317454 0.84 TK1 (0.43) TK1
SCHEMBL1417825 0.84 TK1 (0.49) TK1

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
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
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 TK1 91/4885TOP2A 144/4885
US-20120252751-A1 ANTI-VIRAL NUCLEOSIDE ANALOGS AND METHODS FOR TREATING VIRAL INFECTIONS, ESPECIALLY HIV INFECTIONS TYMP, ITPA, SAMHD1 TK1 91/4885TOP2A 144/4885
US-20040167096-A1 Anti-viral nucleoside analogs and methods for treating viral infections, especially HIV infections CCR1, CCR4, CCR3 TK1 92/4885TOP2A 1228/4885

“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.