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Sugi Predict / Compounds / SCHEMBL1628084

SCHEMBL1628084

SCHEMBL1628084

O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1C=CI

nearest known ligand 0.83

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TK2 O00142 7/20 0.83
▸ PYGM P11217 3/20 0.67
▸ P2RY2 P41231 1/20 0.54
▸ SLC28A1 O00337 1/20 0.54
▸ SLC28A2 O43868 1/20 0.54
▸ SLC29A1 Q99808 1/20 0.54
▸ SLC28A3 Q9HAS3 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ TK1 P04183 1/20 0.54
▸ BLM P54132 1/20 0.54
▸ PMP22 Q01453 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL5175300 1.00 TK2 (0.83) TK2PYGMP2RY2SLC28A1SLC28A2
SCHEMBL2587710 1.00 TK2 (0.83) TK2PYGMP2RY2SLC28A1SLC28A2
SCHEMBL1628082 1.00 TK2 (0.83) TK2PYGMP2RY2SLC28A1SLC28A2
SCHEMBL2587708 1.00 TK2 (0.83) TK2PYGMP2RY2SLC28A1SLC28A2
SCHEMBL6528897 1.00 TK2 (0.83) TK2PYGMP2RY2SLC28A1SLC28A2
SCHEMBL2585320 0.91 TK2 (0.69) TK2PYGMP2RY2SLC28A1SLC28A2
SCHEMBL2577938 0.91 TK2 (0.69) TK2PYGMCYP1A2CYP3A4TSHR
SCHEMBL2577941 0.91 TK2 (0.69) TK2PYGMCYP1A2CYP3A4TSHR
SCHEMBL2577942 0.91 TK2 (0.69) TK2PYGMCYP1A2CYP3A4TSHR
SCHEMBL2585319 0.91 TK2 (0.69) TK2PYGMP2RY2SLC28A1SLC28A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020169140-A1 Combination therapy for reduction of toxicity of chemotherapeutic agents HOLLIS-EDEN PHARMACEUTICALS, INC. 2002-11-14 — — US claimed
WO-2002069949-A2 COMBINATION THERAPY FOR REDUCTION OF TOXYCITY OF CHEMOTHERAPEUTIC AGENTS PRENDERGAST PATRICK T (IE) 2002-09-12 — — WO claimed
US-6015573-A TREATMENT OF RESISTANT HERPES VIRUS WITH NUCLEOSIDE PHOSPHATE ESTERS RESOLUTION PERFORMANCE PRODUCTS LLC 2000-01-18 — — US claimed
US-5879700-A TREATING HERPES VIRUS INFECTIONS HOSTETLER KARL Y (US) 1999-03-09 — — US claimed
EP-0831794-A4 ACYCLOVIR DERIVATIVES FOR TOPICAL USE HOSTETLER KARL Y (US) 1998-11-04 — — EP claimed
EP-0831794-A1 ACYCLOVIR DERIVATIVES FOR TOPICAL USE HOSTETLER, Karl Y. (US) 1998-04-01 — — EP claimed
WO-1996040088-A1 ACYCLOVIR DERIVATIVES FOR TOPICAL USE HOSTETLER KARL Y (US) 1996-12-19 — — WO claimed
US-9549930-B2 Combined systemic and topical treatment of disordered and/or prodromal stage tissue QUADEX PHARMACEUTICALS, LLC (US) 2017-01-24 — — US disclosed
US-9545408-B2 Combined systemic and topical treatment of disordered tissues QUADEX PHARMACEUTICALS, INC. (US) 2017-01-17 — — US disclosed
EP-2968228-A1 COMBINED SYSTEMIC AND TOPICAL TREATMENT OF DISORDERED TISSUES Quadex Pharmaceuticals, LLC (US) 2016-01-20 — — EP disclosed
US-20150374704-A1 COMBINED SYSTEMIC AND TOPICAL TREATMENT OF DISORDERED AND/OR PRODROMAL STAGE TISSUE QUADEX PHARMACEUTICALS, LLC 2015-12-31 — — US disclosed
US-20150342955-A1 COMBINED SYSTEMIC AND TOPICAL TREATMENT OF DISORDERED TISSUES QUADEX PHARMACEUTICALS, LLC 2015-12-03 — — US disclosed
US-9125911-B2 Combined systemic and topical treatment of disordered tissues QUADEX PHARMACEUTICALS, LLC (US) 2015-09-08 — — US disclosed
EP-0831794-A4 ACYCLOVIR DERIVATIVES FOR TOPICAL USE HOSTETLER KARL Y (US) 1998-11-04 — — EP disclosed
US-5756116-A VIRICIDES USING ACYCLOVIR RESISTANT STRAIN OF HERPES VIRUS HOSTETLER KARL Y (US) 1998-05-26 — — US disclosed
EP-0831794-A1 ACYCLOVIR DERIVATIVES FOR TOPICAL USE HOSTETLER, Karl Y. (US) 1998-04-01 — — EP disclosed
WO-1996040088-A1 ACYCLOVIR DERIVATIVES FOR TOPICAL USE HOSTETLER KARL Y (US) 1996-12-19 — — WO disclosed
US-5580571-A ACYCLOIR MONO OR DIPHOSPHATE; TOPICAL USE IN HERPES VIRUSINFECTIONS HOSTETLER KARL Y (US) 1996-12-03 — — US disclosed
EP-0428623-A1 PRODUCTION OF RADIOIODINATED 1-$g(b)-D-ARABINOFURANOSYL)-5(E)-(2-IODOVINYL)URACIL, AND USES THEREOF, AND RELATED ANALOGUES INCORPORATING ALTERNATIVE HALOGEN RADIONUCLIDES, THE GENERAL RADIOHALOGENATION PRECURSORS, 1-(2,3,5-TRI-O-ACETYL-$g(b)-D-ARABINOFURANOSYL)-5(Z and E)-(2-TRIMETHYLSILYLVINYL)URAC SACKS, Stephen Leslie (CA) 1991-05-29 — — EP disclosed
WO-1990001324-A1 PRODUCTION OF RADIOIODINATED 1-β-D-ARABINOFURANOSYL)-5(E)-(2-IODOVINYL)URACIL, AND USES THEREOF, AND RELATED ANALOGUES INCORPORATING ALTERNATIVE HALOGEN RADIONUCLIDES, THE GENERAL RADIOHALOGENATION PRECURSORS, 1-(2,3,5-TRI-O-ACETYL-β-D-ARABINOFURANOSYL)-5(Z and E)-(2-TRIMETHYLSILYLVINYL)URACIL, PROCESSES FOR RADIOHA SACKS STEPHEN LESLIE (CA) 1990-02-22 — — WO 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-20150342955-A1 COMBINED SYSTEMIC AND TOPICAL TREATMENT OF DISORDERED TISSUES NT5E, SAMHD1, DCTD TK2 82/4885PYGM 515/4885P2RY2 586/4885
US-20150374704-A1 COMBINED SYSTEMIC AND TOPICAL TREATMENT OF DISORDERED AND/OR PRODROMAL STAGE TISSUE SAMHD1, CUTA, TK1 TK2 109/4885PYGM 579/4885P2RY2 436/4885

“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.