Sugi Predict

Sugi Predict / Compounds / Acetone

Acetone

Acetone

SCHEMBL472485

CC(C)=O.O[C@@H]1[C@H](O)[C@H](n2cnc3c(C4CCOC4)ncnc32)O[C@@H]1CNc1nc2ccccc2o1

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 12/20 0.45
▸ ADORA3 P0DMS8 6/20 0.45
▸ ADORA2A P29274 3/20 0.45
▸ ADORA2B P29275 2/20 0.45
▸ SLC29A1 Q99808 2/20 0.45
▸ SLC28A1 O00337 1/20 0.45
▸ BMPR1B O00238 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL472582 0.96 ADORA3 (0.47) ADORA1ADORA3ADORA2AADORA2BSLC29A1
SCHEMBL3276677 0.96 ADORA3 (0.47) ADORA1ADORA3ADORA2AADORA2BSLC29A1
SCHEMBL13384997 0.83 ADORA1 (0.67) ADORA1ADORA3ADORA2AADORA2BSLC29A1
Acetone SCHEMBL472483 0.81 AHCY (0.38) ADORA1ADORA3ADORA2AADORA2BSLC29A1
Acetone SCHEMBL472736 0.81 ADORA1 (0.62) ADORA1ADORA3ADORA2AADORA2BSLC29A1
Acetone SCHEMBL472703 0.80 ADORA1 (0.52) ADORA1ADORA3ADORA2AADORA2BSLC29A1
SCHEMBL13384992 0.71 ADORA1 (0.51) ADORA1ADORA3ADORA2AADORA2BSLC29A1
SCHEMBL472527 0.71 ADORA1 (0.67) ADORA1ADORA3ADORA2AADORA2BSLC29A1
SCHEMBL6397659 0.71 ADORA1 (0.74) ADORA1ADORA3ADORA2AADORA2BSLC29A1
Tecadenoson SCHEMBL472467 0.68 ADORA1 (0.91) ADORA1ADORA3ADORA2AADORA2BSLC29A1

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
EP-2412716-A1 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. (US) 2012-02-01 — — EP disclosed
US-7696181-B2 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. (US) 2010-04-13 — — US disclosed
US-20090325896-A1 PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS IBRAHIM PRABHA 2009-12-31 — — US disclosed
US-20060287275-A1 Partial and full agonists of A1 adenosine receptors IBRAHIM PRABHA 2006-12-21 — — US disclosed
US-7144871-B2 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. (US) 2006-12-05 — — US disclosed
EP-1476455-A1 PARTIAL AND FULL AGONISTS OF A sb 1 /sb ADENOSINE RECEPTORS CV THERAPEUTICS, INC. (US) 2004-11-17 — — EP disclosed
US-20030232783-A1 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. 2003-12-18 — — US disclosed
WO-2003070739-A1 PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS CV THERAPEUTICS, INC. (US) 2003-08-28 — — 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-20090325896-A1 PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS ADORA1, ADORA2A, ADORA3 ADORA1 1/4885ADORA3 3/4885ADORA2A 2/4885
US-20060287275-A1 Partial and full agonists of A1 adenosine receptors ADORA1, ADORA2A, ADORA3 ADORA1 1/4885ADORA3 3/4885ADORA2A 2/4885
US-20030232783-A1 Partial and full agonists of A1 adenosine receptors ADORA1, ADORA2A, ADORA3 ADORA1 1/4885ADORA3 3/4885ADORA2A 2/4885

“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.