SCHEMBL21539237

SCHEMBL21539237

Nc1nc2c(ncn2[C@@H]2O[C@H](CO)C[C@H]2OP(O)(=S)OF)c(=O)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FUT5 Q11128 1/20 0.48
▸ HPRT1 P00492 3/20 0.48
▸ HPGD P15428 1/20 0.47
▸ NT5E P21589 1/20 0.47
▸ STING1 Q86WV6 3/20 0.45
▸ HINT1 P49773 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ TGM2 P21980 1/20 0.44
▸ GSK3A P49840 1/20 0.43
▸ RPS6KA3 P51812 1/20 0.43
▸ MAPK14 Q16539 1/20 0.43
▸ TLR7 Q9NYK1 1/20 0.43
▸ F2 P00734 1/20 0.43
▸ PDE3B Q13370 1/20 0.42
▸ PDE3A Q14432 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
SCHEMBL31583575 0.88 FUT5 (0.53) FUT5HPRT1HPGDNT5ESTING1
SCHEMBL21539254 0.88 FUT5 (0.50) FUT5HPRT1HPGDNT5ESTING1
SCHEMBL18521008 0.86 FUT5 (0.55) FUT5HPRT1HPGDNT5EHINT1
SCHEMBL30612754 0.85 HPGD (0.54) FUT5HPRT1HPGDNT5ESTING1
SCHEMBL25711923 0.83 HINT1 (0.50) FUT5HPRT1HPGDNT5ESTING1
SCHEMBL20833471 0.82 HPGD (0.51) FUT5HPRT1HPGDNT5ESTING1
SCHEMBL21539249 0.81 NT5E (0.51) FUT5HPRT1HPGDNT5ESTING1
SCHEMBL21758981 0.81 POLB (0.58) FUT5NT5ESTING1POLBTGM2
SCHEMBL18521179 0.81 NT5E (0.54) FUT5NT5ESTING1TGM2PDE3A
SCHEMBL6053623 0.80 STING1 (0.52) HPRT1HPGDNT5ESTING1HINT1

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-20190328762-A1 COMBINATIONS OF PD-1 ANTAGONISTS AND CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT MERCK SHARP & DOHME CORP. (US) 2019-10-31 — — 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-20190328762-A1 COMBINATIONS OF PD-1 ANTAGONISTS AND CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT STING1, CGAS, MAVS FUT5 4416/4885HPRT1 538/4885HPGD 574/4885

“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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