SCHEMBL22883249

SCHEMBL22883249

CC(=O)OC[C@@H]1C[C@@H](OC(C)=O)[C@H](n2nnc3c(=O)[nH]c(N)nc32)O1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.49
▸ TLR7 Q9NYK1 7/20 0.45
▸ HINT1 P49773 1/20 0.38
▸ PNP P00491 6/20 0.38
▸ GSK3A P49840 2/20 0.36
▸ RPS6KA3 P51812 2/20 0.36
▸ MAPK14 Q16539 2/20 0.36
▸ LMNA P02545 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ FUT5 Q11128 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL22883494 0.85 TLR7 (0.42) ALDH1A1TLR7PNP
SCHEMBL22883248 0.84 KDM4E (0.42) ALDH1A1TLR7LMNATHRBSMN1; SMN2
SCHEMBL7257443 0.83 HINT1 (0.54) ALDH1A1TLR7HINT1PNPGSK3A
SCHEMBL18759054 0.83 HINT1 (0.54) ALDH1A1TLR7HINT1PNPGSK3A
SCHEMBL23202292 0.80 TLR7 (0.49) ALDH1A1TLR7HINT1GSK3ARPS6KA3
SCHEMBL12112070 0.80 TLR7 (0.69) TLR7
SCHEMBL10183060 0.80 TLR7 (0.69) TLR7
SCHEMBL17198375 0.78 ALDH1A1 (0.56) ALDH1A1HINT1PNPGSK3ARPS6KA3
SCHEMBL23202283 0.77 ALDH1A1 (0.48) ALDH1A1TLR7HINT1PNPGSK3A
SCHEMBL25711923 0.75 HINT1 (0.50) TLR7HINT1GSK3ARPS6KA3MAPK14

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-20210009630-A1 CYCLIC DINUCLEOTIDES AS STING AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2021-01-14 — — 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-20210009630-A1 CYCLIC DINUCLEOTIDES AS STING AGONISTS STING1, CGAS, IFNAR1 ALDH1A1 4671/4885TLR7 37/4885HINT1 1510/4885

“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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