SCHEMBL21787100

SCHEMBL21787100

BC(C)(C)SSCO[C@@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)OC1CCO

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TK1 P04183 8/20 0.52
RNASE1 P07998 1/20 0.49
LMNA P02545 2/20 0.46
TSHR P16473 2/20 0.46
ALB P02768 1/20 0.46
PKM P14618 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
CYP2D6 P10635 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
SCHEMBL19662165 0.85 TK1 (0.61) TK1RNASE1LMNATSHRALB
SCHEMBL21787087 0.84 TK1 (0.46) TK1RNASE1
SCHEMBL21786791 0.83 POLB (0.61) TK1
SCHEMBL21786906 0.82 TK1 (0.52) TK1RNASE1
SCHEMBL21786773 0.82 TK1 (0.55) TK1
SCHEMBL24730302 0.81 TK1 (0.51) TK1RNASE1LMNATSHRALB
SCHEMBL8424863 0.80 RNASE1 (0.53) TK1RNASE1LMNAALBPKM
SCHEMBL8424862 0.80 RNASE1 (0.53) TK1RNASE1LMNAALBPKM
SCHEMBL23734388 0.79 RNASE1 (0.61) TK1RNASE1LMNATSHRALB
SCHEMBL24913386 0.79 TK1 (0.49) TK1RNASE1

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-20200069717-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-03-05 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-20200069717-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, RNGTT TK1 254/4885RNASE1 212/4885LMNA 370/4885

“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.