SCHEMBL12374837

SCHEMBL12374837

C[C@H]1CCCC(O)(c2nc(N)c3ncn(COC(C(=O)NC4CC4)C(O)CO)c3n2)C1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ VCP P55072 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ METTL3 Q86U44 1/20 0.31
▸ METTL14 Q9HCE5 1/20 0.31
▸ PDE3A Q14432 1/20 0.31
▸ ADORA2A P29274 2/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ ADORA1 P30542 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
SCHEMBL13645784 1.00 MEN1 (0.33) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL12375377 1.00 MEN1 (0.33) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL12375378 0.91 MEN1 (0.32) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL12375010 0.91 MEN1 (0.32) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL12943362 0.83 MEN1 (0.33) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL13777714 0.82 MEN1 (0.36) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL14393325 0.81 SARS1 (0.40) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL12374009 0.81 SARS1 (0.40) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL10146720 0.78 MEN1 (0.33) MEN1ALDH1A1LMNACYP3A4NFKB1
SCHEMBL13777765 0.78 MEN1 (0.33) MEN1ALDH1A1LMNACYP3A4NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989431-B2 4-{3-[6-Amino-9-(5-cyclopropylcarbamoyl-3,4-dihydroxy-tetrahydro-furan-2-yl)-9H-purin-2-yl]-prop-2-ynyl}-cyclohexanecarboxylic acid methyl ester; for inflammation, such as organ, tissue or cell transplantation, angioplasty (PCTA), inflammation following ischemia/reperfusion, or grafting UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-08-02 — — US disclosed
US-20090253647-A1 2-PROPYNYL ADENOSINE ANALOGS WITH MODIFIED 5'-RIBOSE GROUPS HAVING A2A AGONIST ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION AND ADENOSINE THERAPEUTICS, L.L.C. 2009-10-08 — — 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-20090253647-A1 2-PROPYNYL ADENOSINE ANALOGS WITH MODIFIED 5'-RIBOSE GROUPS HAVING A2A AGONIST ACTIVITY ADORA2A, ADORA3, ADORA1 MEN1 2350/4885ALDH1A1 680/4885LMNA 902/4885

“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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