SCHEMBL17357699

SCHEMBL17357699

CC(C)OC(=O)OCOP(=O)(OCOC(=O)OC(C)C)OC[C@@]1(CF)O[C@@H](n2cnc3c(N)ccnc32)[C@](C)(F)[C@@H]1O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FAP Q12884 2/20 0.38
▸ ADORA2A P29274 1/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ STING1 Q86WV6 3/20 0.33
▸ DNMT1 P26358 1/20 0.32
▸ DNMT3B Q9UBC3 1/20 0.32
▸ AHCY P23526 2/20 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
SCHEMBL16368112 0.94 FAP (0.35) FAPADORA2AADORA2BSTING1DNMT1
SCHEMBL17359557 0.89 FAP (0.50) FAPADORA2ASTING1AHCY
SCHEMBL16368080 0.89 FAP (0.33) FAPADORA2AADORA2BSTING1DNMT1
SCHEMBL19986573 0.85 FAP (0.34) FAPADORA2AADORA2BSTING1
SCHEMBL16368274 0.83 FAP (0.47) FAPADORA2ASTING1AHCY
SCHEMBL17359578 0.83 FAP (0.47) FAPADORA2ASTING1AHCY
SCHEMBL17358556 0.79 FAP (0.44) FAPADORA2ASTING1AHCY
SCHEMBL16374082 0.78 FAP (0.44) FAPADORA2ASTING1AHCY
SCHEMBL16368193 0.78 FAP (0.44) FAPADORA2ASTING1AHCY
SCHEMBL16377076 0.78 FAP (0.34) FAPADORA2ASTING1

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-20150366888-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2015-12-24 — — 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-20150366888-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, TYMP FAP 469/4885ADORA2A 78/4885ADORA2B 288/4885

“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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