SCHEMBL2222856

SCHEMBL2222856

CC(C)c1ccc(CO[C@H]2CO[C@H](CO)[C@H]2O)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.46
ADORA2A P29274 2/20 0.44
ADORA1 P30542 1/20 0.44
SLC5A1 P13866 4/20 0.41
NFE2L2 Q16236 1/20 0.40
SLC5A2 P31639 3/20 0.40
IDO1 P14902 2/20 0.40

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
SCHEMBL2223610 0.85 SLC6A2 (0.48) SLC6A2ADORA2ASLC5A1SLC5A2
SCHEMBL12803176 0.83 SLC6A2 (0.46) SLC6A2SLC5A1SLC5A2
SCHEMBL22367763 0.83 SLC6A2 (0.46) SLC6A2SLC5A1SLC5A2
SCHEMBL12803420 0.82 SLC6A2 (0.48) SLC6A2ADORA2ASLC5A1SLC5A2
SCHEMBL2220309 0.82 SLC6A2 (0.62) SLC6A2ADORA2A
SCHEMBL21096772 0.82 SLC6A2 (0.62) SLC6A2ADORA2A
SCHEMBL12516420 0.82 SLC6A2 (0.62) SLC6A2ADORA2A
SCHEMBL12802843 0.82 SLC6A2 (0.46) SLC6A2ADORA1SLC5A1SLC5A2
SCHEMBL12803755 0.80 SLC6A2 (0.55) SLC6A2
SCHEMBL12804179 0.79 SLC6A2 (0.46) SLC6A2SLC5A1SLC5A2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877439-B2 Method for rapidly evaluating performance of short interfering RNA with novel chemical modifications SIRNA THERAPEUTICS, INC. (US) 2014-11-04 US claimed
US-9512426-B2 Method for rapidly evaluating performance of short interfering RNA with novel chemical modifications SIRNA THERAPEUTICS, INC. (US) 2016-12-06 US disclosed
US-20150132761-A1 METHOD FOR RAPIDLY EVALUATING PERFORMANCE OF SHORT INTERFERING RNA WITH NOVEL CHEMICAL MODIFICATIONS BANK OF AMERICA, N.A. 2015-05-14 US disclosed
US-8877439-B2 Method for rapidly evaluating performance of short interfering RNA with novel chemical modifications SIRNA THERAPEUTICS, INC. (US) 2014-11-04 US disclosed
EP-2513337-A1 A METHOD FOR RAPIDLY EVALUATING PERFORMANCE OF SHORT INTERFERING RNA WITH NOVEL CHEMICAL MODIFICATIONS Merck Sharp & Dohme Corp. (US) 2012-10-24 EP disclosed
US-20120252027-A1 Method For Rapidly Evaluating Performance Of Short Interfering RNA With Novel Chemical Modifications BANK OF AMERICA, N.A. 2012-10-04 US disclosed
WO-2011084345-A1 A METHOD FOR RAPIDLY EVALUATING PERFORMANCE OF SHORT INTERFERING RNA WITH NOVEL CHEMICAL MODIFICATIONS MERCK SHARP & DOHME CORP. (US) 2011-07-14 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-20120252027-A1 Method For Rapidly Evaluating Performance Of Short Interfering RNA With Novel Chemical Modifications NSUN2, NSUN3, SNRPE SLC6A2 1939/4885ADORA2A 615/4885ADORA1 1080/4885

“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.