SCHEMBL5696121

SCHEMBL5696121

CC(=O)O[C@H]1[C@H](n2cc(C)c(=O)[nH]c2=O)OC(COS(C)(=O)=O)(COS(C)(=O)=O)[C@H]1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.39
RNASE1 P07998 1/20 0.37
BCHE P06276 2/20 0.36
HPGD P15428 1/20 0.36
NT5M Q9NPB1 1/20 0.35
TYMP P19971 1/20 0.34
TK2 O00142 2/20 0.34

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
SCHEMBL28618582 1.00 TK1 (0.39) TK1RNASE1BCHEHPGDNT5M
SCHEMBL28618584 1.00 TK1 (0.39) TK1RNASE1BCHEHPGDNT5M
SCHEMBL28749276 0.97 TK1 (0.37) TK1RNASE1BCHEHPGDNT5M
SCHEMBL20394057 0.97 TK1 (0.37) TK1RNASE1BCHEHPGDNT5M
SCHEMBL20394055 0.97 TK1 (0.37) TK1RNASE1BCHEHPGDNT5M
SCHEMBL3038934 0.90 TK1 (0.41) TK1RNASE1BCHEHPGDNT5M
SCHEMBL3029966 0.90 TK1 (0.41) TK1RNASE1BCHEHPGDNT5M
SCHEMBL6065673 0.89 TK1 (0.34) TK1
SCHEMBL14511225 0.89 TK1 (0.34) TK1
SCHEMBL14946306 0.88 TK1 (0.44) TK1RNASE1BCHEHPGDNT5M

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1163250-B1 IMPROVED SYNTHESIS OF ¬2.2.1|BICYCLO NUCLEOSIDES EXIQON AS (DK) 2006-07-12 EP disclosed
US-6734291-B2 SULFONYLATION OF A DI(HYDROXYMETHANE)FURO(2,3-D)1,3-DIOXOLE DERIVATIVE WITH A SULFONYL HALIDE EXIQON A/S (DK) 2004-05-11 US disclosed
US-6639059-B1 Novel synthesis strategy comprising novel key intermediate, (2.2.1)bicyclo nucleosides are produced at least two steps shorter than any previously known strategy; 3-O-aryl-4-C-hydroxymethyl-1,2-O-isopropylidene-alpha-D-ribofuranose EXIQON A/S (DK) 2003-10-28 US disclosed
US-20030092905-A1 Synthesis of [2.2.1]bicyclo nucleosides EXIQON A/S 2003-05-15 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-20030092905-A1 Synthesis of [2.2.1]bicyclo nucleosides NSUN2, RNGTT, RNMT TK1 72/4885RNASE1 434/4885BCHE 4411/4885

“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.