SCHEMBL2159722

SCHEMBL2159722

CC1(C)OC[C@H]([C@@H]2OC(=O)[C@@H]3OC(C)(C)O[C@H]23)O1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 8/20 0.41
▸ CA1 P00915 7/20 0.41
▸ CA9 Q16790 3/20 0.41
▸ MGAM O43451 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ SI P14410 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ MGAM2 Q2M2H8 1/20 0.35
▸ CA12 O43570 2/20 0.34
▸ CA4 P22748 2/20 0.34
▸ CA5A P35218 2/20 0.34
▸ CA7 P43166 2/20 0.34
▸ CA14 Q9ULX7 2/20 0.34
▸ CA5B Q9Y2D0 2/20 0.34
▸ CA6 P23280 1/20 0.34
▸ CA13 Q8N1Q1 1/20 0.34
▸ ELANE P08246 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL7153059 1.00 CA2 (0.41) CA2CA1CA9MGAMGAA
SCHEMBL17368119 1.00 CA2 (0.41) CA2CA1CA9MGAMGAA
SCHEMBL7123996 1.00 CA2 (0.41) CA2CA1CA9MGAMGAA
SCHEMBL18660486 1.00 CA2 (0.41) CA2CA1CA9MGAMGAA
SCHEMBL19129772 1.00 CA2 (0.41) CA2CA1CA9MGAMGAA
SCHEMBL19129723 1.00 CA2 (0.41) CA2CA1CA9MGAMGAA
SCHEMBL23288110 1.00 CA2 (0.41) CA2CA1CA9MGAMGAA
SCHEMBL20056397 1.00 CA2 (0.41) CA2CA1CA9MGAMGAA
SCHEMBL21938541 1.00 CA2 (0.41) CA2CA1CA9MGAMGAA
SCHEMBL5365686 1.00 CA2 (0.41) CA2CA1CA9MGAMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10428104-B2 Substituted nucleoside derivatives useful as anticancer agents PFIZER INC. (US) 2019-10-01 — — US disclosed
US-9089515-B2 Long chain N-alkyl compounds and oxa-derivatives thereof THOMAS JEFFERSON UNIVERSITY (US) 2015-07-28 — — US disclosed
US-9089515-B2 Long chain N-alkyl compounds and oxa-derivatives thereof THOMAS JEFFERSON UNIVERSITY (US) 2015-07-28 — — US disclosed
US-8389565-B2 Antidiabetic agents; controlling carbohydrate metabolism SIMON FRASER UNIVERSITY (CA) 2013-03-05 — — US disclosed
US-8389565-B2 Antidiabetic agents; controlling carbohydrate metabolism SIMON FRASER UNIVERSITY (CA) 2013-03-05 — — US disclosed
US-8389565-B2 Antidiabetic agents; controlling carbohydrate metabolism SIMON FRASER UNIVERSITY (CA) 2013-03-05 — — US disclosed
US-20110184019-A1 Long chain N-Alkyl compounds and oxa-derivatives thereof THOMAS JEFFERSON UNIVERSITY 2011-07-28 — — US disclosed
US-20110184019-A1 Long chain N-Alkyl compounds and oxa-derivatives thereof THOMAS JEFFERSON UNIVERSITY 2011-07-28 — — US disclosed
US-7816560-B1 Long chain n-alkyl compounds and oxa-derivatives thereof THOMAS JEFFERSON UNIVERSITY (US) 2010-10-19 — — US disclosed
US-7816560-B1 Long chain n-alkyl compounds and oxa-derivatives thereof THOMAS JEFFERSON UNIVERSITY (US) 2010-10-19 — — US disclosed
WO-1995012219-A1 STABILISED ELECTROLYTE SOLUTIONS, METHODS OF PREPARATION THEREOF AND REDOX CELLS AND BATTERIES CONTAINING STABILISED ELECTROLYTE SOLUTIONS UNISEARCH LIMITED (AU) 1995-05-04 — — WO disclosed
EP-0322395-B1 HETEROCYCLIC COMPOUNDS FOR INHIBITING VIRUS Monsanto Company (US) 1993-03-24 — — EP disclosed
US-5089520-A Administering 1,4-dideoxy-1,4-imino-L-arabinitol or 1,4-dideoxy-1,4-imino-D-ribitol; human immunodeficiency virus MONSANTO COMPANY (US) 1992-02-18 — — US disclosed
US-5043416-A Method of inhibiting virus MONSANTO COMPANY (US) 1991-08-27 — — US disclosed
US-4999360-A Treatment of AIDS, polyhydroxy piperidine derivatives MONSANTO COMPANY (US) 1991-03-12 — — US disclosed
US-4861892-A Method for synthesis of deoxymannojirimycin G. D. SEARLE & CO. (US) 1989-08-29 — — US disclosed
EP-0328508-A2 Method for synthesis of deoxymannojirimycin The NutraSweet Company (US) 1989-08-16 — — EP disclosed
EP-0322395-A1 Heterocyclic compounds for inhibiting virus Monsanto Company (US) 1989-06-28 — — EP disclosed
EP-0000092-A1 Method of preparing ascorbic acid and intermediates specially adapted for use therein PFIZER INC. (US) 1978-12-20 — — EP disclosed
US-4111958-A Ascorbic acid synthesis PFIZER INC. (US) 1978-09-05 — — 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 (2 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-10428104-B2 Substituted nucleoside derivatives useful as anticancer agents TYMP, NME1, DPYD CA2 4688/4885CA1 4100/4885CA9 2498/4885
US-20110184019-A1 Long chain N-Alkyl compounds and oxa-derivatives thereof OXA1L, OTC, PAICS CA2 4806/4885CA1 4480/4885CA9 4506/4885

“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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