SCHEMBL18503453

SCHEMBL18503453

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

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TK2 O00142 2/20 0.59
TYMP P19971 5/20 0.53
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
ALB P02768 1/20 0.49
POLB P06746 1/20 0.49
ADRA1A P35348 1/20 0.49
BLM P54132 1/20 0.49
RNASE1 P07998 1/20 0.46

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
SCHEMBL17198387 0.90 TK2 (0.55) TK2TYMPALDH1A1LMNAALB
SCHEMBL18503446 0.88 LMNA (0.47) TK2TYMPLMNA
SCHEMBL9556674 0.86 TK2 (0.57) TK2TYMPALDH1A1LMNAALB
SCHEMBL14928930 0.85 TK2 (0.53) TK2TYMPALDH1A1LMNAALB
SCHEMBL14928922 0.85 TK2 (0.53) TK2TYMPALDH1A1LMNAALB
SCHEMBL7781617 0.85 TK2 (0.61) TK2TYMPALDH1A1LMNAALB
SCHEMBL18503443 0.83 SLC28A1 (0.57) LMNA
SCHEMBL18503431 0.82 POLB (0.55) POLB
SCHEMBL20154860 0.81 LMNA (0.56) TK2TYMPLMNAALBBLM
SCHEMBL13205001 0.81 LMNA (0.59) TK2TYMPALDH1A1LMNAALB

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-20170044205-A1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES NUCLEOTIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS, INC. 2017-02-16 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-20170044205-A1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES NUCLEOTIDES FOR THE TREATMENT OF HCV RB1, NSUN2, METTL3 TK2 83/4885TYMP 108/4885ALDH1A1 1322/4885

“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.