SCHEMBL4581312

SCHEMBL4581312

COC[C@H]1O[C@@H](n2cnc3c(O)nc(O)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 9/20 0.66
ADORA2A P29274 4/20 0.53
ADORA2B P29275 2/20 0.53
ADORA1 P30542 2/20 0.52
IMPDH2 P12268 1/20 0.51
IMPDH1 P20839 1/20 0.51
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA9 Q16790 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
SCHEMBL16619900 0.91 ADORA3 (0.64) ADORA3ADORA2AADORA2BADORA1IMPDH2
Xanthosine SCHEMBL6676995 0.86 LMNA (0.65) ADORA3ADORA2AADORA2BADORA1
Xanthosine SCHEMBL8665102 0.86 LMNA (0.65) ADORA3ADORA2AADORA2BADORA1
Xanthosine SCHEMBL188120 0.86 LMNA (0.65) ADORA3ADORA2AADORA2BADORA1
Xanthosine SCHEMBL11523732 0.86 LMNA (0.65) ADORA3ADORA2AADORA2BADORA1
SCHEMBL780585 0.86 ADORA3 (0.66) ADORA3ADORA2AADORA2BADORA1
SCHEMBL41365 0.86 ADORA3 (0.66) ADORA3ADORA2AADORA2BADORA1
Xanthosine SCHEMBL5352244 0.85 LMNA (0.63) ADORA3ADORA2AADORA2BADORA1
SCHEMBL188740 0.84 CA5A (0.68) ADORA1IMPDH2IMPDH1
SCHEMBL11426071 0.84 CA1 (0.58) ADORA3ADORA2AADORA2BADORA1IMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024099575-A1 ARTIFICIAL NUCLEIC ACIDS FOR SITE-DIRECTED EDITING OF A TARGET RNA EBERHARD KARLS UNIVERSITÄT TÜBINGEN (DE) 2024-05-16 WO disclosed
EP-1985702-A2 CPG-like nucleic acids and methods of use thereof Coley Pharmaceuticals GmbH (DE) 2008-10-29 EP disclosed
US-20030207307-A1 Determining biochemical markers of progression and therapy monitoring and specification, therapeutic lead molecules, and target biochemical systems applied to stroke ESA, INC. 2003-11-06 US disclosed
WO-2003089898-A2 DETERMINING BIOCHEMICAL MARKERS OF PROGRESSION AND THERAPY MONITORING AND SPECIFICATION, THERAPEUTIC LEAD MOLECULES, AND TARGET BIOCHEMICAL SYSTEMS APPLIED TO STROKE ESA, INC. (US) 2003-10-30 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 (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-20030207307-A1 Determining biochemical markers of progression and therapy monitoring and specification, therapeutic lead molecules, and target biochemical systems applied to stroke SHMT2, FABP7, FABP3 ADORA3 4135/4885ADORA2A 4094/4885ADORA2B 3184/4885

“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.