SCHEMBL291317

SCHEMBL291317

Cc1cn(C2CCC(OCP(=O)(O)O)O2)c(=O)[nH]c1=O

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TK1 P04183 8/20 0.55
POLB P06746 1/20 0.51
TYMP P19971 2/20 0.48

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
SCHEMBL2092764 1.00 TK1 (0.55) TK1POLBTYMP
SCHEMBL8711473 0.99 TK1 (0.54) TK1POLBTYMP
SCHEMBL8898158 0.99 TK1 (0.54) TK1POLBTYMP
SCHEMBL8896482 0.99 TK1 (0.54) TK1POLBTYMP
SCHEMBL8896487 0.89 TK1 (0.50) TK1POLB
SCHEMBL8897744 0.89 TK1 (0.53) TK1POLB
SCHEMBL8714093 0.87 TK1 (0.56) TK1POLB
SCHEMBL8895908 0.86 TK1 (0.47) TK1POLB
SCHEMBL12300469 0.83 TK1 (0.54) TK1POLBTYMP
SCHEMBL21473346 0.83 TK1 (0.57) TK1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0398231-B1 Nucleoside analogs ACAD OF SCIENCE CZECH REPUBLIC (CZ) 1997-07-16 EP claimed
EP-4140485-A1 MODULATORS OF TOLL-LIKE RECEPTORS FOR THE TREATMENT OF HIV Gilead Sciences, Inc. (US) 2023-03-01 EP disclosed
US-11116774-B2 Modulators of toll-like receptors for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-09-14 US disclosed
US-11110091-B2 Modulators of toll-like receptors GILEAD SCIENCES, INC. (US) 2021-09-07 US disclosed
US-20190315785-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2019-10-17 US disclosed
EP-3539546-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2019-09-18 EP disclosed
US-10172860-B2 Modulators of toll-like receptors GILEAD SCIENCES, INC. (US) 2019-01-08 US disclosed
US-20180263985-A1 MODULATORS OF TOLL-LIKE RECEPTORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2018-09-20 US disclosed
EP-3349757-A1 MODULATORS OF TOLL-LIKE RECPTORS FOR THE TREATMENT OF HIV Gilead Sciences, Inc. (US) 2018-07-25 EP disclosed
US-20180086784-A1 Phosphonate analogs of HIV inhibitor compounds GILEAD SCIENCES, INC. 2018-03-29 US disclosed
EP-1558613-A2 PRE-ORGANIZED TRICYCLIC INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-08-03 EP disclosed
US-20050137199-A1 Inhibition of HiV integrase compounds GILEAD SCIENCES, INC. 2005-06-23 US disclosed
WO-2005028478-A1 AZA-QUINOLINOL PHOSPHONATE INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-03-31 WO disclosed
US-20050038058-A1 Novel compounds and methods for therapy INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY 2005-02-17 US disclosed
US-20040167124-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2004-08-26 US disclosed
US-20040157804-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2004-08-12 US disclosed
WO-2004035576-A2 PRE-ORGANIZED TRICYCLIC INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-04-29 WO disclosed
WO-2004035577-A2 PRE-ORGANIZED TRICYCLIC INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-04-29 WO disclosed
US-6225460-B1 PHOSPHOAMIDATE OR ESTER BOND THAT IS HYDROLYZED IN VIVO TO YIELD A CORRESPONDING PHOSPHONATE NUCLEOTIDE ANALOG. GILEAD SCIENCES, INC. 2001-05-01 US disclosed
US-5659023-A HETEROCYCLIC FURANOSYL OR PYRANOSYL PHOSPHONATE; IMMUNOGENS, OLIGONUCLEOTIDES, ANTIINFECTIVES, ANTIINFLAMMATORY AGENTS GILEAD SCIENCES, INC. (US) 1997-08-19 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 (10 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-20050038058-A1 Novel compounds and methods for therapy ZC3HAV1, IFNAR1, EIF2AK2 TK1 130/4885POLB 78/4885TYMP 30/4885
US-20180263985-A1 MODULATORS OF TOLL-LIKE RECEPTORS FOR THE TREATMENT OF HIV TLR8, TLR3, TLR6 TK1 1002/4885POLB 2296/4885TYMP 911/4885
US-20040167124-A1 Pre-organized tricyclic integrase inhibitor compounds INTS6, INTS9, MUS81 TK1 14/4885POLB 70/4885TYMP 23/4885
US-20050137199-A1 Inhibition of HiV integrase compounds CDKL5, CDKL1, CDKL3 TK1 179/4885POLB 281/4885TYMP 25/4885
US-11116774-B2 Modulators of toll-like receptors for the treatment of HIV TLR7, TLR3, TLR6 TK1 844/4885POLB 2168/4885TYMP 892/4885
US-20040157804-A1 Pre-organized tricyclic integrase inhibitor compounds INTS6, INTS9, MUS81 TK1 14/4885POLB 70/4885TYMP 23/4885
US-10172860-B2 Modulators of toll-like receptors TLR3, TLR2, TLR6 TK1 3002/4885POLB 3979/4885TYMP 4300/4885
US-11110091-B2 Modulators of toll-like receptors TLR3, TLR2, TLR6 TK1 3002/4885POLB 3979/4885TYMP 4300/4885
US-20190315785-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS PIK3CA, TYMP, ITPA TK1 114/4885POLB 146/4885TYMP 2/4885
US-20180086784-A1 Phosphonate analogs of HIV inhibitor compounds PIK3CA, TYMP, ITPA TK1 114/4885POLB 146/4885TYMP 2/4885

“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.