SCHEMBL1030464

SCHEMBL1030464

O=C(OC[C@H]1OC(O)C(F)(F)[C@@H]1OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ POLB P06746 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ LGALS9 O00182 1/20 0.40
▸ LGALS1 P09382 1/20 0.40
▸ LGALS3 P17931 1/20 0.40
▸ LGALS7; LGALS7B P47929 1/20 0.40
▸ NPC1 O15118 1/20 0.39

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
SCHEMBL16756807 1.00 ALDH1A1 (0.46) ALDH1A1POLBMAPK1GAANPSR1
SCHEMBL13607676 1.00 ALDH1A1 (0.46) ALDH1A1POLBMAPK1GAANPSR1
SCHEMBL6369092 1.00 ALDH1A1 (0.46) ALDH1A1POLBMAPK1GAANPSR1
SCHEMBL2692294 1.00 ALDH1A1 (0.46) ALDH1A1POLBMAPK1GAANPSR1
SCHEMBL16756809 1.00 ALDH1A1 (0.46) ALDH1A1POLBMAPK1GAANPSR1
SCHEMBL13455914 1.00 ALDH1A1 (0.46) ALDH1A1POLBMAPK1GAANPSR1
SCHEMBL2244419 0.90 LGALS9 (0.44) ALDH1A1POLBMAPK1GAANPSR1
SCHEMBL30620960 0.90 ALDH1A1 (0.46) ALDH1A1POLBMAPK1GAANPSR1
SCHEMBL4846095 0.90 ALDH1A1 (0.46) ALDH1A1POLBMAPK1GAANPSR1
SCHEMBL19326334 0.88 ALDH1A1 (0.50) ALDH1A1POLBMAPK1GAANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112079891-A Preparation method of antitumor drug gemcitabine hydrochloride 苏州华鑫医药科技有限公司 2020-12-15 — — CN claimed
WO-2010029574-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF GEMCITABINE AND ITS INTERMEDIATES USING NOVEL PROTECTING GROUPS AND ION EXCHANGE RESINS KANNAN VISHWANATH (IN) 2010-03-18 — — WO claimed
EP-3334745-B1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME LLC (US) 2024-05-15 — — EP disclosed
US-11453697-B1 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME LLC (US) 2022-09-27 — — US disclosed
EP-3184112-B1 SYNTHETIC INTERMEDIATE OF 1-(2-DEOXY-2-FLUORO-4-THIO-ß-D-ARABINOFURANOSYL)CYTOSINE FUJIFILM CORP (JP) 2020-12-23 — — EP disclosed
CN-112079891-A Preparation method of antitumor drug gemcitabine hydrochloride 苏州华鑫医药科技有限公司 2020-12-15 — — CN disclosed
CN-112079891-A Preparation method of antitumor drug gemcitabine hydrochloride 苏州华鑫医药科技有限公司 2020-12-15 — — CN disclosed
US-10766919-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME CORP. (US) 2020-09-08 — — US disclosed
US-10759825-B2 Cyclic di-nucleotide compounds as STING agonists MERCK SHARP & DOHME CORP. (US) 2020-09-01 — — US disclosed
US-10759825-B2 Cyclic di-nucleotide compounds as STING agonists MERCK SHARP & DOHME CORP. (US) 2020-09-01 — — US disclosed
US-10570112-B2 Synthetic intermediate of 1-(2-deoxy-2-fluoro-4-thio-β-D-arabinofuranosyl)cytosine, synthetic intermediate of thionucleoside, and method for producing the same FUJIFILM CORPORATION (JP) 2020-02-25 — — US disclosed
EP-0577304-B1 Stereoselective anion glycosylation process LILLY CO ELI (US) 1997-03-05 — — EP disclosed
US-5606048-A REACTING A CONCENTRATED ALPHA- OR BETA-ANOMER ENRICHED 1-DEOXY-2,2-DIFLUOROCARBOHYDRATE OR 2-DEOXY-2-FLUOROCARBOHYDRATE WITH A MOLAR EQUIVALENT OF A NUCLEOBASE DERIVATIVE IN A HIGH BOILING INERT SOLVENT ELI LILLY AND COMPANY (US) 1997-02-25 — — US disclosed
US-5594124-A REACTING ALPHA-ANOMER ENRICHED 2,2-DIFLUOROCARBOHYDRATE WITH AT LEAST THREE MOLAR EQUIVALENTS OF PROTECTED NUCLEOBASE IN LOW FREEZING INERT SOLVENT ELI LILLY AND COMPANY (US) 1997-01-14 — — US disclosed
US-5453499-A Process for preparing alpha-anomer enriched 1-halo-2-deoxy-2,2-difluoro-D-ribofuranosyl derivatives ELI LILLY AND COMPANY 1995-09-26 — — US disclosed
US-5426183-A Reacting 2'-deoxy-2(2)-(di)fluorocarbohydrate witha nucleobase in an inert solvent ELI LILLY AND COMPANY (US) 1995-06-20 — — US disclosed
US-5401838-A Reaction of sulfonate furanose with nucleobase ELI LILLY AND COMPANY (US) 1995-03-28 — — US disclosed
US-5371210-A Reacting alpha anomer enriched 2-deoxy-2,2-difluorocarbo-hydrate with nucleobase ELI LILLY AND COMPANY (US) 1994-12-06 — — US disclosed
EP-0577304-A1 Stereoselective anion glycosylation process ELI LILLY AND COMPANY (US) 1994-01-05 — — EP disclosed
EP-0577303-A1 Stereoselective glycosylation process ELI LILLY AND COMPANY (US) 1994-01-05 — — EP 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 (4 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-10766919-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 ALDH1A1 4183/4885POLB 354/4885MAPK1 1162/4885
US-11453697-B1 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 ALDH1A1 4183/4885POLB 354/4885MAPK1 1162/4885
US-10570112-B2 Synthetic intermediate of 1-(2-deoxy-2-fluoro-4-thio-β-D-arabinofuranosyl)cytosine, synthetic intermediate of thionucleoside, and method for producing the same TYMS, TYMP, RRM2B ALDH1A1 679/4885POLB 19/4885MAPK1 4374/4885
US-10759825-B2 Cyclic di-nucleotide compounds as STING agonists STING1, CGAS, IFNAR1 ALDH1A1 4183/4885POLB 354/4885MAPK1 1162/4885

“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.

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