SCHEMBL22855496

SCHEMBL22855496

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

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TK1 P04183 6/20 0.61
POLB P06746 1/20 0.56
RNASE1 P07998 1/20 0.55
ALB P02768 1/20 0.54
PKM P14618 1/20 0.54
LMNA P02545 1/20 0.54
BLM P54132 1/20 0.54
PMP22 Q01453 1/20 0.54

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
SCHEMBL19884474 1.00 TK1 (0.61) TK1POLBRNASE1ALBPKM
SCHEMBL14537834 0.92 TK1 (0.57) TK1POLBRNASE1
SCHEMBL12015132 0.92 TK1 (0.57) TK1POLBRNASE1
SCHEMBL12087554 0.92 TK1 (0.57) TK1POLBRNASE1
SCHEMBL16587617 0.91 TK1 (0.59) TK1POLBRNASE1ALBPKM
SCHEMBL17589248 0.91 TK1 (0.57) TK1RNASE1ALBPKMLMNA
SCHEMBL19884506 0.91 TK1 (0.57) TK1POLBALBPKMLMNA
SCHEMBL8428685 0.91 TK1 (0.67) TK1RNASE1ALBPKMLMNA
SCHEMBL14546727 0.91 TK1 (0.67) TK1RNASE1ALBPKMLMNA
SCHEMBL887983 0.91 TK1 (0.67) TK1RNASE1ALBPKMLMNA

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-20200407394-A1 THERAPEUTIC AGENT FOR GLYCOGEN STORAGE DISEASE TYPE IA DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-12-31 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-20200407394-A1 THERAPEUTIC AGENT FOR GLYCOGEN STORAGE DISEASE TYPE IA G6PC1, GAA, GBA3 TK1 534/4885POLB 242/4885RNASE1 146/4885

“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.