SCHEMBL22883248

SCHEMBL22883248

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.34
▸ TAS1R1 Q7RTX1 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ TLR7 Q9NYK1 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HIF1A Q16665 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
SCHEMBL22883496 0.87 KDM4E (0.38) KDM4ETAS1R3TAS1R1TLR7
SCHEMBL22883249 0.84 ALDH1A1 (0.49) MEN1KMT2AALDH1A1TLR7LMNA
SCHEMBL22034185 0.80 KDM4E (0.44) KDM4ETAS1R3TAS1R1TLR7
SCHEMBL18510815 0.78 KDM4E (0.41) KDM4ETAS1R3TAS1R1TLR7LMNA
SCHEMBL18521376 0.78 KDM4E (0.44) KDM4ETAS1R3TAS1R1TLR7
SCHEMBL26534550 0.76 KDM4E (0.38) KDM4EMEN1TSHRKMT2ATAS1R3
SCHEMBL22883489 0.74 KDM4E (0.37) KDM4ETAS1R3TAS1R1
SCHEMBL22883454 0.73 MEN1 (0.48) KDM4EMEN1KMT2ATAS1R3TAS1R1
SCHEMBL22401420 0.73 KDM4E (0.45) KDM4ETAS1R3TAS1R1ALDH1A1LMNA
SCHEMBL21637008 0.73 KDM4E (0.45) KDM4EMEN1KMT2AALDH1A1LMNA

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 KDM4E 4282/4885MEN1 307/4885TSHR 2468/4885

“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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