SCHEMBL22399679

SCHEMBL22399679

CO[C@H](COP(OCCC#N)N(C(C)C)C(C)C)[C@@H](F)[C@@H](OP(OCCC#N)N(C(C)C)C(C)C)n1cnc2c(=O)[nH]c(NC(=O)C(C)C)nc21

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CDK5 Q00535 1/20 0.32
▸ CDK5R1 Q15078 1/20 0.32

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
SCHEMBL25605598 0.89 KDM4E (0.37) KDM4EMEN1TSHRKMT2ACDK5
SCHEMBL20833449 0.80 KDM4E (0.39) KDM4EMEN1TSHRKMT2A
SCHEMBL20833441 0.80 KDM4E (0.39) KDM4EMEN1TSHRKMT2A
SCHEMBL22759957 0.79 KDM4E (0.37) KDM4EMEN1TSHRKMT2ACDK5
SCHEMBL13443499 0.75 L3MBTL1 (0.36) KDM4EMEN1TSHRKMT2A
SCHEMBL26543475 0.75 TAS1R3 (0.47) KDM4E
SCHEMBL24197308 0.74 KDM4E (0.49) KDM4EMEN1TSHRKMT2A
SCHEMBL19146388 0.74 KDM4E (0.49) KDM4EMEN1TSHRKMT2A
SCHEMBL21376542 0.74 KDM4E (0.49) KDM4EMEN1TSHRKMT2A
SCHEMBL26152399 0.74 KDM4E (0.48) KDM4EMEN1TSHRKMT2A

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-10766919-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME CORP. (US) 2020-09-08 — — 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-10766919-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 KDM4E 4116/4885MEN1 1419/4885TSHR 2078/4885

“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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