SCHEMBL18521003

SCHEMBL18521003

COP(=O)(O)O[C@H]1C(O)[C@@H](CO)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.58
TGM2 P21980 1/20 0.56
ADORA1 P30542 1/20 0.56
HPGD P15428 2/20 0.55
TAS1R3 Q7RTX0 1/20 0.55
TAS1R1 Q7RTX1 1/20 0.55
FUT5 Q11128 1/20 0.54
HINT1 P49773 3/20 0.53
RNASEL Q05823 5/20 0.52
KRAS P01116 3/20 0.51
IMPDH2 P12268 1/20 0.51
IMPDH1 P20839 1/20 0.51

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
SCHEMBL1477429 0.91 ADORA1 (0.67) NT5ETGM2ADORA1HPGDTAS1R3
SCHEMBL2220159 0.91 ADORA1 (0.67) NT5ETGM2ADORA1HPGDTAS1R3
SCHEMBL31310507 0.91 TAS1R3 (0.67) NT5ETGM2TAS1R3TAS1R1FUT5
SCHEMBL18521471 0.90 NT5E (0.55) NT5ETGM2ADORA1HPGDTAS1R3
SCHEMBL27126358 0.88 HPGD (0.58) NT5ETGM2ADORA1HPGDTAS1R3
SCHEMBL18512866 0.88 HPGD (0.61) NT5ETGM2HPGDTAS1R3TAS1R1
SCHEMBL3713950 0.88 HPGD (0.61) NT5ETGM2HPGDTAS1R3TAS1R1
SCHEMBL16360143 0.88 HPGD (0.61) NT5ETGM2HPGDTAS1R3TAS1R1
SCHEMBL26515 0.88 HPGD (0.61) NT5ETGM2HPGDTAS1R3TAS1R1
SCHEMBL16198946 0.88 HPGD (0.61) NT5ETGM2HPGDTAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-02-16 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-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 NT5E 1372/4885TGM2 3107/4885ADORA1 32/4885

“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.