SCHEMBL1699648

SCHEMBL1699648

CC(C)OC[C@H]1O[C@@H](n2cnc3c(N)nc(N)nc32)C(O)[C@H]1OC(C)C

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 2/20 0.55
▸ ADORA2A P29274 8/20 0.55
▸ ADORA2B P29275 7/20 0.55
▸ NT5E P21589 1/20 0.55
▸ ADORA3 P0DMS8 5/20 0.52
▸ HSP90B1 P14625 1/20 0.50
▸ ADORA1 P30542 1/20 0.49

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
SCHEMBL2614694 1.00 HINT1 (0.55) HINT1ADORA2AADORA2BNT5EADORA3
SCHEMBL12807374 1.00 HINT1 (0.55) HINT1ADORA2AADORA2BNT5EADORA3
SCHEMBL10162526 0.93 ADORA2A (0.57) HINT1ADORA2AADORA2BNT5EADORA3
SCHEMBL12673434 0.92 HINT1 (0.55) HINT1ADORA2AADORA2BNT5EADORA3
SCHEMBL13164319 0.91 DNMT1 (0.54) ADORA2AADORA2BADORA3ADORA1
SCHEMBL22002019 0.90 HINT1 (0.56) HINT1ADORA2AADORA2BNT5EADORA3
SCHEMBL6829146 0.90 HINT1 (0.67) HINT1ADORA2AADORA2BNT5EADORA3
SCHEMBL24049462 0.87 AHCY (0.60) ADORA2AADORA2BNT5EADORA3ADORA1
SCHEMBL24049460 0.87 AHCY (0.60) ADORA2AADORA2BNT5EADORA3ADORA1
SCHEMBL14587512 0.87 AHCY (0.60) ADORA2AADORA2BNT5EADORA3ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170143631-A1 LIPID FORMULATION ARBUTUS BIOPHARMA CORPORATION (CA) 2017-05-25 — — US disclosed
US-8563710-B2 Modified oligonucleotide and its preparation and application BIOMICS BIOTECHNOLOGIES CO., LTD. (CN) 2013-10-22 — — US disclosed
US-20120088815-A1 Modified Oligonucleotide and Its Preparation and Application BIOMICS BIOTECHNOLOGIES CO. LTD (CN) 2012-04-12 — — 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-20120088815-A1 Modified Oligonucleotide and Its Preparation and Application UNG, NSUN2, UPF1 HINT1 843/4885ADORA2A 567/4885ADORA2B 1193/4885
US-20170143631-A1 LIPID FORMULATION CETP, LIPA, SGMS1 HINT1 4203/4885ADORA2A 4416/4885ADORA2B 3788/4885

“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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