SCHEMBL25688757

SCHEMBL25688757

CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](OP(=S)(OCCC#N)OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H](F)[C@@H]2O[PH](=O)O)[C@@H](CO)O[C@H]1n1cnc2c(=O)n3ccn(CCc4ccc([N+](=O)[O-])cc4)c3nc21

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 7/20 0.36
▸ TP53 P04637 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ ABCC4 O15439 1/20 0.31
▸ SLC28A3 Q9HAS3 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ ADORA1 P30542 3/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ ADORA2B P29275 1/20 0.31
▸ P2RY12 Q9H244 3/20 0.30

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
SCHEMBL25688777 0.96 SLC29A1 (0.36) SLC29A1TP53CYP3A4HIF1AABCC4
SCHEMBL25688747 0.94 TYMP (0.32) SLC29A1
SCHEMBL25688776 0.89 TYMP (0.32) SLC29A1
SCHEMBL24321999 0.86 SLC29A1 (0.37) SLC29A1ADORA1ADORA3ADORA2AADORA2B
SCHEMBL25688735 0.85 TYMP (0.32) SLC29A1
SCHEMBL18917301 0.84 P2RY12 (0.39) ADORA1P2RY12
SCHEMBL18927171 0.84 P2RY12 (0.39) ADORA1P2RY12
SCHEMBL24321953 0.82 SLC29A1 (0.38) SLC29A1ADORA1ADORA3ADORA2AADORA2B
SCHEMBL20547951 0.81 P2RY12 (0.35) ADORA1P2RY12
SCHEMBL18917302 0.81 KDM4E (0.37) ADORA1P2RY12

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-11660311-B2 Cyclic dinucleotides as anticancer agents BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-30 — — 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-11660311-B2 Cyclic dinucleotides as anticancer agents DPYD, CD38, DUT SLC29A1 367/4885TP53 131/4885CYP3A4 3042/4885

“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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