SCHEMBL1417792

SCHEMBL1417792

C=C1O[C@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 4/20 0.46
TK1 P04183 7/20 0.46
DHFR P00374 1/20 0.41
TK2 O00142 1/20 0.41

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
SCHEMBL12848323 1.00 TOP2A (0.46) TOP2ATK1DHFRTK2
SCHEMBL1417955 1.00 TOP2A (0.46) TOP2ATK1DHFRTK2
SCHEMBL25400484 0.82 DUT (0.45) TOP2A
SCHEMBL26280079 0.82 DUT (0.45) TOP2A
SCHEMBL1418156 0.79 TK1 (0.50) TK1DHFRTK2
SCHEMBL6830807 0.76 TOP2A (0.49) TOP2ATK1DHFRTK2
SCHEMBL6830804 0.76 TOP2A (0.49) TOP2ATK1DHFRTK2
SCHEMBL23270835 0.76 TOP2A (0.51) TOP2ATK1DHFR
SCHEMBL12942602 0.76 TOP2A (0.51) TOP2ATK1DHFR
SCHEMBL24059076 0.76 TOP2A (0.51) TOP2ATK1DHFR

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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 91/4885DHFR 262/4885
US-20120252751-A1 ANTI-VIRAL NUCLEOSIDE ANALOGS AND METHODS FOR TREATING VIRAL INFECTIONS, ESPECIALLY HIV INFECTIONS TYMP, ITPA, SAMHD1 TOP2A 144/4885TK1 91/4885DHFR 262/4885

“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.