SCHEMBL779508

SCHEMBL779508

C[SiH](C)[C@]1(n2cc(I)c(=O)[nH]c2=O)C[C@H](OC(C)(C)C)[C@@H](COC(C)(C)C)O1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 1/20 0.35
TK1 P04183 1/20 0.30

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
SCHEMBL18670742 0.88 P2RY6 (0.38) P2RY6TK1
SCHEMBL2120427 0.87 P2RY6 (0.32) P2RY6
SCHEMBL779398 0.83
SCHEMBL8905512 0.81 ALDH1A1 (0.36) TK1
SCHEMBL10393887 0.81 ALDH1A1 (0.33) TK1
SCHEMBL779966 0.80 TK1 (0.34) TK1
SCHEMBL8905688 0.80 ALDH1A1 (0.35) TK1
SCHEMBL2056759 0.79 TK1 (0.39) TK1
SCHEMBL8906740 0.79 TK1 (0.36) TK1
SCHEMBL9343667 0.78 LMNA (0.39) TK1

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-8809357-B2 Compounds and derivatizations of DNAs and RNAs on the nucleobases of pyrimidines for function, structure and therapeutics HUANG, ZHEN, DR. 2014-08-19 US disclosed
US-20120070825-A1 Novel Compounds and Derivatizations of DNAs and RNAs on the Nucleobases of Pyrimidines for Function, Structure and Therapeutics SENA RESEARCH, INC. (US) 2012-03-22 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-20120070825-A1 Novel Compounds and Derivatizations of DNAs and RNAs on the Nucleobases of Pyrimidines for Function, Structure and Therapeutics NSUN2, RNMT, TRDMT1 P2RY6 1866/4885TK1 59/4885

“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.