SCHEMBL12418522

SCHEMBL12418522

CC1(C)OCC([C@@H](COS(N)(=O)=O)OCn2cnc3c(N)ncnc32)O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.41
▸ ADORA2A P29274 4/20 0.38
▸ ADORA1 P30542 3/20 0.38
▸ PI4KA P42356 3/20 0.38
▸ PI4K2B Q8TCG2 3/20 0.38
▸ PI4K2A Q9BTU6 3/20 0.38
▸ PI4KB Q9UBF8 3/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA4 P22748 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ ADK P55263 1/20 0.37
▸ ADORA2B P29275 1/20 0.36
▸ AHCY P23526 3/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ THPO P40225 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ SMN1; SMN2 Q16637 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
SCHEMBL13461518 0.81 ADORA2A (0.38) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL14030144 0.74 LMNA (0.35) RXFP1ADORA2API4KAPI4K2BPI4K2A
SCHEMBL25819880 0.70 ADORA2A (0.51) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL987717 0.69 ADORA2A (0.56) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL12379263 0.68 ENPP1 (0.60) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL13645804 0.68 DNMT1 (0.38) ADORA1CYP3A4NFKB1BLMSMN1; SMN2
SCHEMBL4084012 0.66 ADORA2A (0.56) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL19778463 0.65 ADK (0.48) RXFP1ADORA2AADORA1PI4KAPI4K2B
SCHEMBL2293264 0.65 ADORA2A (0.68) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL8846475 0.65 ADORA2A (0.56) ADORA2AADORA1PI4KAPI4K2BPI4K2A

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 RXFP1 141/4885ADORA2A 2428/4885ADORA1 865/4885

“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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