SCHEMBL12418882

SCHEMBL12418882

Nc1ncnc2c1ncn2CO[C@H](CNS(=O)(=O)CC(O)c1ccccc1O)C(O)CO

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 5/20 0.40
▸ ADORA2A P29274 4/20 0.40
▸ CA2 P00918 4/20 0.38
▸ CA4 P22748 4/20 0.38
▸ CA9 Q16790 4/20 0.38
▸ EGFR P00533 2/20 0.38
▸ CA1 P00915 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ ADORA1 P30542 2/20 0.36
▸ PI4KA P42356 1/20 0.36
▸ PI4K2B Q8TCG2 1/20 0.36
▸ PI4K2A Q9BTU6 1/20 0.36
▸ PI4KB Q9UBF8 1/20 0.36

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
SCHEMBL14030163 0.85 AHCY (0.40) AHCYADORA2ACA2CA4CA9
SCHEMBL12418881 0.85 EGFR (0.41) AHCYADORA2ACA2CA4CA9
SCHEMBL12417901 0.82 AHCY (0.40) AHCYADORA2ACA2CA4CA9
SCHEMBL12418879 0.82 AHCY (0.36) AHCYADORA2ACA2CA4CA9
SCHEMBL12417888 0.80 AHCY (0.38) AHCYADORA2ACA2CA4CA9
SCHEMBL14472999 0.77 AHCY (0.60) AHCYADORA2AALDH1A1ADORA1PI4KA
SCHEMBL10284145 0.77 AHCY (0.60) AHCYADORA2AALDH1A1ADORA1PI4KA
SCHEMBL14034301 0.74 AHCY (0.37) AHCYADORA2ACA2CA4CA9
SCHEMBL14520292 0.71 TRPM2 (0.57) —
SCHEMBL14139510 0.70 AHCY (0.56) AHCYADORA2AALDH1A1ADORA1PI4KA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989430-B2 Antibacterial agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2011-08-02 — — US disclosed
US-20080293666-A1 Antibacterial Agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-11-27 — — 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 (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-20080293666-A1 Antibacterial Agents MRPL21, ABCB7, MSR1 AHCY 3828/4885ADORA2A 2428/4885CA2 1905/4885

“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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