SCHEMBL558715

SCHEMBL558715

N=C(N)CNC(=O)C1O[C@H](CO)[C@@H](O)[C@H]1OP(=O)(O)O

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.39
SMPD1 P17405 1/20 0.33
LGALS3 P17931 2/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL1062463 0.90 ADORA1 (0.40) ADORA1SMPD1LGALS3
SCHEMBL4899187 0.86 ADORA1 (0.38) ADORA1SMPD1
SCHEMBL6334894 0.80 LGALS3 (0.41) LGALS3
SCHEMBL2511743 0.75 FBP1 (0.53)
SCHEMBL3229780 0.71 ADORA1 (0.38) ADORA1CYP2C19HIF1A
SCHEMBL783243 0.70 LGALS8 (0.41) ADORA1SMPD1
SCHEMBL2045173 0.70 SMPD1 (0.45) ADORA1SMPD1
SCHEMBL851492 0.70 SMPD1 (0.45) SMPD1
SCHEMBL4596697 0.69 SMPD1 (0.48) SMPD1
SCHEMBL5378658 0.69 SMPD1 (0.48) SMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009128644-A9 GENOME-SCALE BUTANOL-PRODUCING MICROORGANISM METABOLIC NETWORK MODEL AND METHODS USING THE SAME FOR ANALYSIS OF METABOLIC CHARACTERISTICS OF BUTANOL-PRODUCING MICROORGANISMS AND FOR SCREENING DELETION TARGETS 한국과학기술원 (KR) 2010-04-15 WO claimed
US-20100047396-A1 METHOD FOR OBTAINING VARIANTS OF LACTIC ACID BACTERIA USABLE FOR PRODUCING VITAMIN K2 AND APPLICATION TO THE PREPARATION OF FOOD PRODUCTS COMPAGNIE GERVAIS DANONE (FR) 2010-02-25 US claimed
WO-2009128644-A2 GENOME-SCALE BUTANOL-PRODUCING MICROORGANISM METABOLIC NETWORK MODEL AND METHODS USING THE SAME FOR ANALYSIS OF METABOLIC CHARACTERISTICS OF BUTANOL-PRODUCING MICROORGANISMS AND FOR SCREENING DELETION TARGETS 한국과학기술원 (KR) 2009-10-22 WO claimed
EP-2084519-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING Los Alamos National Security, LLC (US) 2009-08-05 EP claimed
WO-2008127291-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING LOS ALAMOS NATIONAL SECURITY, LLC (US) 2008-10-23 WO claimed
US-20080220441-A1 Advanced drug development and manufacturing THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-11 US claimed
US-20240173352-A1 CELL-SURFACE RECEPTORS RESPONSIVE TO LOSS OF HETEROZYGOSITY A2 BIOTHERAPEUTICS, INC. 2024-05-30 US disclosed
US-20240101967-A1 COMPOSITIONS AND METHODS FOR GENE EDITING WITH WOOLLY MAMMOTH ALLELES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2024-03-28 US disclosed
US-20240075067-A1 COMPOSITIONS AND METHODS FOR TREATING HER2 POSITIVE CANCERS A2 BIOTHERAPEUTICS, INC. 2024-03-07 US disclosed
US-20240058335-A1 METHODS FOR TREATMENT OF CANCER USING ABL INHIBITORS AND DRUGS TARGETING THE MEVALONATE PATHWAY DUKE UNIVERSITY (US) 2024-02-22 US disclosed
US-20230393122-A1 STEM CELL COMPOSITIONS FOR CULTURING CORONAVIRUSES AND METHODS OF MAKING AND USING THEREOF Centre for Translational Stem Cell Biology Limited (CN) 2023-12-07 US disclosed
US-11815509-B2 Cell line and uses thereof SENZAGEN AB (SE) 2023-11-14 US disclosed
US-11746368-B1 Lactococcus lactis subsp. lactis A32, derived product and use thereof QILU UNIVERSITY OF TECHNOLOGY (CN) 2023-09-05 US disclosed
WO-2004048938-A2 METHODS OF DETECTING SOFT TISSUE SARCOMA, COMPOSITIONS AND METHODS OF SCREENING FOR SOFT TISSUE SARCOMA MODULATORS PROTEIN DESIGN LABS, INC. (US) 2004-06-10 WO disclosed
CN-1452659-A Corynebacterium glutamicum genes encoding metabolic pathway proteins BASF AG (DE) 2003-10-29 CN disclosed
US-6583266-B1 Peptide for use in the diagnosis and treatment of skin disorders and tuberculosis GENOME THERAPEUTICS CORPORATION 2003-06-24 US disclosed
WO-2003022987-A2 METHODS OF DIAGNOSIS OF HEPATITIS C INFECTION, COMPOSITIONS AND METHODS OF SCREENING FOR MODULATORS OF HEPATITIS C INFECTION EOS BIOTECHNOLOGY, INC. (US) 2003-03-20 WO disclosed
CN-1371417-A Corynebacterium glutamicum genes encoding metabolic pathway proteins BASF AG (DE) 2002-09-25 CN disclosed
WO-2002042478-A2 NEMATODE RESISTANT PLANT THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2002-05-30 WO disclosed
US-6348582-B1 NUCLEOTIDE SEQUENCE FROM STAPHYLOCOCCUS AUREUS; PROBES; PRIMERS; DIAGNOSIS OF INFECTIONS; DRUG SCREENING OF BACTERIOSTATS AND BACTERICIDES SMITHKLINE BEECHAM CORPORATION 2002-02-19 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 (1 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-20240058335-A1 METHODS FOR TREATMENT OF CANCER USING ABL INHIBITORS AND DRUGS TARGETING THE MEVALONATE PATHWAY ABL2, ABL1, VAV1 ADORA1 4510/4885SMPD1 533/4885LGALS3 3484/4885

“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.