SCHEMBL6831419

SCHEMBL6831419

COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@]2(O)OP(O)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TK1 P04183 5/20 0.38
TK2 O00142 9/20 0.38
TYMP P19971 1/20 0.36

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
SCHEMBL6831414 1.00 TK1 (0.38) TK1TK2TYMP
SCHEMBL7211237 0.85 TK2 (0.35) TK1TK2
SCHEMBL7206844 0.85 TK2 (0.35) TK1TK2
SCHEMBL7207527 0.85 RNASE1 (0.34) TK1TK2
SCHEMBL6830770 0.84 TK2 (0.43) TK1TK2TYMP
SCHEMBL7995787 0.83 TK1 (0.39) TK1TK2TYMP
SCHEMBL6827415 0.83 TK2 (0.45) TK1TK2
SCHEMBL7211272 0.83 TK2 (0.34) TK1TK2
SCHEMBL21626198 0.83 TK2 (0.40) TK1TK2TYMP
SCHEMBL6323179 0.82 TK2 (0.42) TK1TK2TYMP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082774-A1 Novel phosphate and thiophosphate protecting groups ISIS PHARMACEUTICALS, INC. 2004-04-29 US disclosed
WO-2000055179-A1 NOVEL PHOSPHATE AND THIOPHOSPHATE PROTECTING GROUPS ISIS PHARMACEUTICALS, INC. (US) 2000-09-21 WO 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-20040082774-A1 Novel phosphate and thiophosphate protecting groups TYMP, MTAP, PPIP5K2 TK1 27/4885TK2 116/4885TYMP 1/4885

“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.