SCHEMBL1371021

SCHEMBL1371021

OC[C@H]1O[C@@H](n2cnc3c(S)nc(O)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.63
TP53 P04637 1/20 0.63
NT5E P21589 1/20 0.61
HIF1A Q16665 1/20 0.61
ADORA2A P29274 4/20 0.60
ADORA2B P29275 3/20 0.60
CYP2C19 P33261 1/20 0.58
HPGD P15428 1/20 0.58
ADORA3 P0DMS8 3/20 0.58
ADORA1 P30542 2/20 0.58
DPP4 P27487 1/20 0.58
MEN1 O00255 1/20 0.58
SLC28A1 O00337 1/20 0.58
MAP3K7 O43318 1/20 0.58
SLC28A2 O43868 1/20 0.58
GAPDH P04406 1/20 0.58
MAPK1 P28482 1/20 0.58
STAT6 P42226 1/20 0.58
PI4KA P42356 1/20 0.58
KMT2A Q03164 1/20 0.58

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
SCHEMBL6673147 1.00 LMNA (0.63) LMNATP53NT5EHIF1AADORA2A
SCHEMBL11805362 0.90 LMNA (0.66) LMNATP53NT5EHIF1AADORA2A
Xanthosine SCHEMBL8665102 0.89 LMNA (0.65) LMNATP53NT5EHIF1AADORA2A
Xanthosine SCHEMBL188120 0.89 LMNA (0.65) LMNATP53NT5EHIF1AADORA2A
Xanthosine SCHEMBL6676995 0.89 LMNA (0.65) LMNATP53NT5EHIF1AADORA2A
Xanthosine SCHEMBL11523732 0.89 LMNA (0.65) LMNATP53NT5EHIF1AADORA2A
Xanthosine SCHEMBL5352244 0.88 LMNA (0.63) LMNATP53NT5EHIF1AADORA2A
Thioguanosine SCHEMBL23927999 0.86 CYP2C19 (0.73) LMNANT5EHIF1AADORA2AADORA2B
Thioguanosine SCHEMBL608145 0.86 CYP2C19 (0.73) LMNANT5EHIF1AADORA2AADORA2B
Thioguanosine SCHEMBL4083505 0.86 CYP2C19 (0.73) LMNANT5EHIF1AADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12485171-B2 Methods of disease activity profiling for personalized therapy management PROMETHEUS LABORATORIES INC. (US) 2025-12-02 US disclosed
CN-117460532-A Medicine for treating and/or preventing cancer 东丽株式会社 2024-01-26 CN disclosed
US-20230078652-A1 METHODS FOR PREDICTION OF ANTI-TNF ALPHA DRUG LEVELS AND AUTOANTIBODY FORMATION PROMETHEUS LABORATORIES INC (US) 2023-03-16 US disclosed
US-11435347-B2 Methods for prediction of anti-TNF α drug levels and autoantibody formation PROMETHEUS LABORATORIES INC. (US) 2022-09-06 US disclosed
US-20220096629-A1 METHODS OF DISEASE ACTIVITY PROFILING FOR PERSONALIZED THERAPY MANAGEMENT PROMETHEUS LABORATORIES INC. 2022-03-31 US disclosed
US-11160863-B2 Methods of disease activity profiling for personalized therapy management PROMETHEUS LABORATORIES INC. (US) 2021-11-02 US disclosed
US-10794906-B2 Assays for detecting neutralizing autoantibodies to biologic therapy PROMETHEUS BIOSCIENCES, INC. (US) 2020-10-06 US disclosed
US-20200158725-A1 METHODS FOR PREDICTION OF ANTI-TNF ALPHA DRUG LEVELS AND AUTOANTIBODY FORMATION PROMETHEUS LABORATORIES INC. 2020-05-21 US disclosed
EP-2494352-B1 ASSAYS FOR THE DETECTION OF ANTI-TNF DRUGS AND AUTOANTIBODIES PROMETHEUS BIOSCIENCES INC (US) 2020-04-08 EP disclosed
US-10571467-B2 Methods for prediction of anti-TNFα drug levels and autoantibody formation Prometheus Biosiences, Inc. (US) 2020-02-25 US disclosed
EP-1115403-B1 METHOD FOR OPTIMIZING THE USE OF 6-MERCAPTOPURINE IN THE TREATMENT OF IMMUNE-MEDIATED GASTROINTESTINAL DISORDERS CHU SAINTE JUSTINE (CA) 2005-12-14 EP disclosed
US-20050234078-A1 Methods of optimizing drug therapeutic efficacy for treatment of immune-mediated gastrointestinal disorders HOPITAL SAINTE-JUSTINE (CA) 2005-10-20 US disclosed
US-20050202483-A1 ITPase gene polymorphisms associated with adverse durg reactions to azathioprine therapy GUY'S AND ST. THOMAS' NHS FOUNDATION TRUST (GB) 2005-09-15 US disclosed
US-20040097527-A1 Methods of optimizing drug therapeutic efficacy for treatment of immune-mediated gastrointestinal disorders HOPITAL SAINTE-JUSTINE 2004-05-20 US disclosed
US-6680302-B2 ADMINISTERING A 6- MERCAPTOPURINE DRUG TO A PATIENT HAVING IMMUNE-MEDIATED GASTROINTESTINAL DISORDER AND DETERMINING A LEVEL OF 6-THIOGUANINE IN THE PATIENT HOSPITAL SAINTE-JUSTINE (CA) 2004-01-20 US disclosed
US-20020082239-A1 Methods of optimizing drug therapeutic efficacy for treatment of immune-mediated gastrointestinal disorders HOPITAL-SAINTE-JUSTINE (CA) 2002-06-27 US disclosed
US-6355623-B2 DETERMINING THE LEVEL OF 6-THIOGUANINE METABOLITE WHEREIN A LEVEL OF 6-THIOGUANINE LESS THAN ABOUT 230 PMOL PER 8 X 108 RED BLOOD CELLS INDICATES A DRUG INCREASE; A LEVEL OF 400PMOL INDICATES A DECREASE; NONTOXIC HOPITAL-SAINTE-JUSTINE (CA) 2002-03-12 US disclosed
EP-1115403-A1 OPTIMIZED USE OF 6-MERCAPTOPURINE DRUG IN THE TREATMENT OF IMMUNE-MEDIATED GASTROINTESTINAL DISORDERS Hospital Sainte-Justine (CA) 2001-07-18 EP disclosed
US-20010006970-A1 Determining the level of 6-thioguanine metabolite wherein a level of 6-thioguanine less than about 230 pmol per 8 x 108 red blood cells indicates a drug increase; a level of 400pmol indicates a decrease; nontoxic HOPITAL SAINTE-JUSTINE 2001-07-05 US disclosed
WO-2000016780-A1 OPTIMIZED USE OF 6-MERCAPTOPURINE DRUG IN THE TREATMENT OF IMMUNE-MEDIATED GASTROINTESTINAL DISORDERS HOPITAL SAINTE-JUSTINE (CA) 2000-03-30 WO disclosed