SCHEMBL25688735

SCHEMBL25688735

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(=O)n5ccn(CCc6ccc([N+](=O)[O-])cc6)c5nc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2OP(OCCC#N)OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H](F)[C@@H]2O[PH](=O)O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 1/20 0.32
▸ SLC29A1 Q99808 1/20 0.31

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
SCHEMBL25688776 0.92 TYMP (0.32) TYMPSLC29A1
SCHEMBL25688747 0.92 TYMP (0.32) TYMPSLC29A1
SCHEMBL25688777 0.85 SLC29A1 (0.36) SLC29A1
SCHEMBL25688757 0.85 SLC29A1 (0.36) SLC29A1
SCHEMBL18490413 0.81 TYMP (0.37) TYMP
SCHEMBL22301454 0.79 TYMP (0.39) TYMP
SCHEMBL18490321 0.78 TYMP (0.39) TYMP
SCHEMBL20474396 0.78 TYMP (0.39) TYMP
SCHEMBL18490433 0.77 KDM4E (0.38) TYMP
SCHEMBL18048087 0.77 TYMP (0.39) TYMP

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 TYMP 5/4885SLC29A1 367/4885

“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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