SCHEMBL5360770

SCHEMBL5360770

CC[C@H]1O[C@@H](n2cnc3c(=S)[nH]c(N)nc32)C(O)C1O

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 3/20 0.56
▸ ADORA3 P0DMS8 4/20 0.52
▸ ADORA2A P29274 3/20 0.52
▸ ADORA2B P29275 2/20 0.52
▸ ADORA1 P30542 2/20 0.52
▸ NT5E P21589 2/20 0.52
▸ CYP2C19 P33261 1/20 0.51
▸ LMNA P02545 1/20 0.50
▸ HIF1A Q16665 1/20 0.50

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
SCHEMBL26294891 1.00 HINT1 (0.56) HINT1ADORA3ADORA2AADORA2BADORA1
SCHEMBL5360062 0.91 EHMT1 (0.56) HINT1ADORA3ADORA2AADORA2BADORA1
Thioguanosine SCHEMBL230739 0.90 LMNA (0.62) ADORA3ADORA2AADORA2BADORA1NT5E
Thioguanosine SCHEMBL5557152 0.90 LMNA (0.62) ADORA3ADORA2AADORA2BADORA1NT5E
Thioguanosine SCHEMBL10017757 0.90 LMNA (0.62) ADORA3ADORA2AADORA2BADORA1NT5E
Thioguanosine SCHEMBL230740 0.90 LMNA (0.62) ADORA3ADORA2AADORA2BADORA1NT5E
Thioguanosine SCHEMBL4527562 0.90 LMNA (0.62) ADORA3ADORA2AADORA2BADORA1NT5E
Thioguanosine SCHEMBL2619736 0.90 LMNA (0.62) ADORA3ADORA2AADORA2BADORA1NT5E
Thioguanosine SCHEMBL1981035 0.90 LMNA (0.62) ADORA3ADORA2AADORA2BADORA1NT5E
Thioguanosine SCHEMBL14156817 0.90 LMNA (0.62) ADORA3ADORA2AADORA2BADORA1NT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189706-B2 C2,5′-disubstituted and N6,C2,5′-trisubstituted adenosine derivatives and pharmaceutical compositions containing them UNIVERSITEIT LEIDEN (NL) 2007-03-13 — — US disclosed
US-7084127-B2 C2,5′-disubstituted and N6, C2,5′-trisubstituted adenosine derivatives and their different uses UNIVERSITEIT LEIDEN (NL) 2006-08-01 — — US disclosed
US-20050277615-A1 Pharmaceutical compositions having anti-inflammatory activity CAN-FITE BIOPHARMA LTD. (IL) 2005-12-15 — — US disclosed
WO-2005111053-A2 PHARMACEUTICAL COMPOSITIONS HAVING ANTI-INFLAMMATORY ACTIVITY CAN-FITE BIOPHARMA LTD. (IL) 2005-11-24 — — WO disclosed
US-20040132686-A1 C2,5'- disubstituted and N6, c2,5'- trisubstituted adenosine derivatives and their different uses UNIVERSITEIT LEIDEN (NL) 2004-07-08 — — US disclosed
US-20040127452-A1 C2,5'-disubstituted and N6,C2,5'-trisubstituted adenosine derivatives and pharmaceutical compositions containing them UNIVERSITEIT LEIDEN (NL) 2004-07-01 — — US disclosed
EP-1368365-A2 C2,5'-DISUBSTITUTED AND N6,C2,5'-TRISUBSTITUTED ADENOSINE DERIVATIVES AND THEIR DIFFERENT USES Universiteit Leiden (NL) 2003-12-10 — — EP disclosed
WO-2002070532-A2 C2,5'-DISUBSTITUTED AND N6,C2,5'-TRISUBSTITUTED ADENOSINE DERIVATIVES AND THEIR DIFFERENT USES UNIVERSITEIT LEIDEN (NL) 2002-09-12 — — WO 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-20040127452-A1 C2,5'-disubstituted and N6,C2,5'-trisubstituted adenosine derivatives and pharmaceutical compositions containing them ADORA2A, ADORA3, ADORA1 HINT1 208/4885ADORA3 2/4885ADORA2A 1/4885
US-20050277615-A1 Pharmaceutical compositions having anti-inflammatory activity AHR, MSR1, ALOX15 HINT1 3642/4885ADORA3 32/4885ADORA2A 61/4885
US-20040132686-A1 C2,5'- disubstituted and N6, c2,5'- trisubstituted adenosine derivatives and their different uses ADORA2A, ADORA3, ADORA1 HINT1 211/4885ADORA3 2/4885ADORA2A 1/4885

“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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