SCHEMBL2397483

SCHEMBL2397483

OC[C@H]1OC(O)(Br)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PYGB P11216 8/20 0.43
▸ PYGL P06737 3/20 0.43
▸ PYGM P11217 2/20 0.43
▸ LMNA P02545 1/20 0.36
▸ GBA1 P04062 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL6512434 1.00 PYGB (0.43) PYGBPYGLPYGMLMNAGBA1
SCHEMBL2848748 1.00 PYGB (0.43) PYGBPYGLPYGMLMNAGBA1
SCHEMBL7759963 1.00 PYGB (0.43) PYGBPYGLPYGMLMNAGBA1
SCHEMBL2848751 1.00 PYGB (0.43) PYGBPYGLPYGMLMNAGBA1
SCHEMBL7759960 1.00 PYGB (0.43) PYGBPYGLPYGMLMNAGBA1
SCHEMBL3459496 0.93 PYGB (0.37) PYGBPYGLPYGMLMNAGBA1
SCHEMBL28509349 0.93 PYGB (0.37) PYGBPYGLPYGMLMNAGBA1
SCHEMBL6908836 0.93 PYGB (0.37) PYGBPYGLPYGMLMNAGBA1
SCHEMBL3459494 0.93 PYGB (0.37) PYGBPYGLPYGMLMNAGBA1
Acetic Acid SCHEMBL30370283 0.89 PYGB (0.42) PYGBPYGLPYGMLMNAGBA1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109172586-A It is a kind of for alleviating the composition of skin irritatin 福州百草堂医药科技有限公司 2019-01-11 — — CN claimed
CN-114591313-A Preparation method of canagliflozin 南京圣鼎医药科技有限公司 2022-06-07 — — CN disclosed
US-9359322-B2 C-linked glucuronide of N-(4-hydroxybenzyl) retinone, analogs thereof, and methods of using the same to inhibit neoplastic cell growth WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2016-06-07 — — US disclosed
US-8026220-B2 C-linked glucuronide of N-(4-hydroxybenzyl) retinone, analogs thereof, and method of using the same to inhibit neoplastic cell growth WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2011-09-27 — — US disclosed
US-20110212906-A1 C-LINKED GLUCURONIDE OF N-(4-HYDROXYBENZYL) RETINONE, ANALOGS THEREOF, AND METHODS OF USING THE SAME TO INHIBIT NEOPLASTIC CELL GROWTH THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION 2011-09-01 — — US disclosed
US-20090215706-A1 C-LINKED GLUCURONIDE OF N-(4-HYDROXYBENZYL) RETINONE, ANALOGS THEREOF, AND METHOD OF USING THE SAME TO INHIBIT NEOPLASTIC CELL GROWTH THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION 2009-08-27 — — US disclosed
US-7528114-B2 C-linked glucuronide of N-(4-hydroxybenzyl) retinone, analogs thereof, and method of using the same to inhibit neoplastic cell growth WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-05-05 — — US disclosed
EP-1891085-A2 C-LINKED GLUCORONIDE OF N-(4-HYDROXYBENZYL) RETINONE, ANALOGS THEREOF, AND METHOD OF USING THE SAME TO INHIBIT NEOPLASTIC CELL GROWTH WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-02-27 — — EP disclosed
US-20060287255-A1 C-linked glucuronide of N-(4-hydroxybenzyl) retinone, analogs thereof, and method of using the same to inhibit neoplastic cell growth THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION 2006-12-21 — — US disclosed
WO-2006119402-A2 C-LINKED GLUCORONIDE OF N-(4-HYDROXYBENZYL) RETINONE, ANALOGS THEREOF, AND METHOD OF USING THE SAME TO INHIBIT NEOPLASTIC CELL GROWTH WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2006-11-09 — — WO disclosed
US-6930180-B2 Chemically modified proteins with a carbohydrate moiety GENENCOR INTERNATIONAL, INC. (US) 2005-08-16 — — US disclosed
US-6294521-B1 SUGAR PHOSPHATES AUSTRALIAN NATIONAL UNIVERSITY (AU) 2001-09-25 — — 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 (3 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-20060287255-A1 C-linked glucuronide of N-(4-hydroxybenzyl) retinone, analogs thereof, and method of using the same to inhibit neoplastic cell growth UGT2B17, ALDH1A2, UGT2B7 PYGB 987/4885PYGL 203/4885PYGM 2034/4885
US-20110212906-A1 C-LINKED GLUCURONIDE OF N-(4-HYDROXYBENZYL) RETINONE, ANALOGS THEREOF, AND METHODS OF USING THE SAME TO INHIBIT NEOPLASTIC CELL GROWTH ALDH1A2, UGT2B17, UGT2B7 PYGB 975/4885PYGL 172/4885PYGM 2136/4885
US-20090215706-A1 C-LINKED GLUCURONIDE OF N-(4-HYDROXYBENZYL) RETINONE, ANALOGS THEREOF, AND METHOD OF USING THE SAME TO INHIBIT NEOPLASTIC CELL GROWTH UGT2B17, ALDH1A2, UGT2B7 PYGB 987/4885PYGL 203/4885PYGM 2034/4885

“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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