SCHEMBL19049970

SCHEMBL19049970

CO[C@H]1C(n2ccc3c(=O)[nH]c(N)nc32)O[C@@H]2C(O)[C@@]21O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 10/20 0.42
▸ PRMT5 O14744 1/20 0.35
▸ WDR77 Q9BQA1 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ HINT1 P49773 4/20 0.33
▸ HPRT1 P00492 1/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ RPS6KA3 P51812 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33

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
SCHEMBL19049954 0.82 HINT1 (0.51) STING1HPGDHINT1GSK3ARPS6KA3
SCHEMBL19050071 0.81 STING1 (0.41) STING1HPGDHINT1
SCHEMBL19050067 0.78 STING1 (0.38) STING1HPGDHINT1
SCHEMBL12154680 0.75 PNP (0.48) STING1HPGD
SCHEMBL1737049 0.75 PNP (0.48) STING1HPGD
SCHEMBL12300437 0.75 PNP (0.48) STING1HPGD
SCHEMBL6726990 0.75 PNP (0.48) STING1HPGD
SCHEMBL12150649 0.75 PNP (0.48) STING1HPGD
SCHEMBL16198948 0.75 PNP (0.48) STING1HPGD
SCHEMBL24487813 0.74 SLC28A1 (0.47) —

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-20170183373-A1 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYERMASE MERCK SHARP & DOHME CORP. (US) 2017-06-29 — — 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-20170183373-A1 NUCLEOSIDE DERIVATIVES AS INHIBITORS OF RNA-DEPENDENT RNA VIRAL POLYERMASE POLRMT, DUT, RNASE1 STING1 503/4885PRMT5 800/4885WDR77 2077/4885

“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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