SCHEMBL291315

SCHEMBL291315

CCCCC(=O)O[C@@H]1C(O)O[C@H](CO)[C@H]1O.COc1ncnc2nc[nH]c12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.45
TK2 O00142 4/20 0.40
LGALS8 O00214 4/20 0.35
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
PRKCA P17252 4/20 0.33
BRD4 O60885 1/20 0.33
PAK1 Q13153 1/20 0.33
HTT P42858 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33

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
SCHEMBL1963526 0.89 PDPK1 (0.46) PDPK1TK2LGALS8TP53TSHR
Ribose (Furanose) SCHEMBL291402 0.81 PDPK1 (0.61) PDPK1HSD17B10NPC1RAB9AHTT
SCHEMBL10326198 0.72 LGALS8 (0.49) TK2LGALS8PRKCA
SCHEMBL10326199 0.72 LGALS8 (0.49) TK2LGALS8PRKCA
SCHEMBL10326200 0.72 LGALS8 (0.49) TK2LGALS8PRKCA
SCHEMBL9019466 0.71 SLC29A1 (0.50) TK2SMN1; SMN2
SCHEMBL6906126 0.71 PDPK1 (0.51) PDPK1SMN1; SMN2
SCHEMBL2199753 0.69 TK2 (0.51) TK2PRKCA
SCHEMBL2199758 0.69 TK2 (0.51) TK2PRKCA
SCHEMBL2200265 0.69 TK2 (0.51) TK2PRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2308885-B1 Novel compounds and methods for therapy GILEAD SCIENCES INC (US) 2014-11-19 EP claimed
EP-2245037-B1 NOVEL COMPOUNDS AND METHODS FOR THERAPY GILEAD SCIENCES INC (US) 2014-06-18 EP claimed
EP-2308885-A2 Novel compounds and methods for therapy Gilead Sciences, Inc. (US) 2011-04-13 EP claimed
US-20090232768-A1 NOVEL COMPOUNDS AND METHODS FOR THERAPY GILEAD SCIENCES, INC. (US) 2009-09-17 US 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
CN-106714800-B TOLL-like receptor modulators for the treatment of HIV 吉利德科学公司 2021-09-03 CN disclosed
US-20190321366-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. 2019-10-24 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-5798340-A ANTITUMOR/ANTINEOPLASTIC ACTIITY, VIRICIDES; BROAD SPECTRUM MICROBIOCIDES; THIOPHOSPHONATES HYDROLYZABLE IN VIVO; ORAL ADMINISTRATION; BIOAVAILABILITY; NONTOXIC; POTENCY GILEAD SCIENCES, INC. (US) 1998-08-25 US disclosed
US-5767100-A ADMINISTERING NUCLEOTIDE ANALOGUES TO TREAT HERPES VIRUS INFECTIONS GILEAD SCIENCES, INC. (US) 1998-06-16 US disclosed
US-5750729-A REACTING PROTECTED PYRAN DERIVATIVES TO FORM NUCLEOTIDES GILEAD SCIENCES,INC. (US) 1998-05-12 US disclosed
US-5717095-A PHOSPHONATES CYTOSINE COMPOUND GILEAD SCIENCES, INC. (US) 1998-02-10 US disclosed
US-5693771-A REACTING PROTECTED PYRAN COMPOUND WITH PHOSPHITE AND HETEROCYCLIC BASE GILEAD SCIENCES, INC. (US) 1997-12-02 US disclosed
US-5659023-A HETEROCYCLIC FURANOSYL OR PYRANOSYL PHOSPHONATE; IMMUNOGENS, OLIGONUCLEOTIDES, ANTIINFECTIVES, ANTIINFLAMMATORY AGENTS GILEAD SCIENCES, INC. (US) 1997-08-19 US disclosed
US-5656745-A AMIDATE LINKAGE; ANTITUMOR, ANTICARCINOGENIC AGENTS GILEAD SCIENCES, INC. (US) 1997-08-12 US disclosed
WO-1996033200-A1 NOVEL COMPOUNDS AND METHODS FOR THERAPY ÚSTAV ORGANICKÉ CHEMIE A BIOCHEMIE AKADEMIE VED C^¿ESKÉ REPUBLIKY (CZ) 1996-10-24 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 (6 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-11116774-B2 Modulators of toll-like receptors for the treatment of HIV TLR7, TLR3, TLR6 PDPK1 1921/4885TK2 745/4885LGALS8 212/4885
US-10172860-B2 Modulators of toll-like receptors TLR3, TLR2, TLR6 PDPK1 2229/4885TK2 1905/4885LGALS8 401/4885
US-11110091-B2 Modulators of toll-like receptors TLR3, TLR2, TLR6 PDPK1 2229/4885TK2 1905/4885LGALS8 401/4885
US-20190315785-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS PIK3CA, TYMP, ITPA PDPK1 112/4885TK2 246/4885LGALS8 3455/4885
US-20190321366-A1 MODULATORS OF TOLL-LIKE RECEPTORS TLR3, TLR2, TLR6 PDPK1 2229/4885TK2 1905/4885LGALS8 401/4885
US-20090232768-A1 NOVEL COMPOUNDS AND METHODS FOR THERAPY TP53, ZC3HAV1, ZFX PDPK1 3269/4885TK2 82/4885LGALS8 926/4885

“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.