SCHEMBL4268441

SCHEMBL4268441

CC(=O)O[C@]1(C)[C@@H](COC(=O)c2ccccc2)O[C@@H](n2cc(C)c(=O)[nH]c2=O)[C@]1(C)F

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RNASE1 P07998 1/20 0.45
TK1 P04183 5/20 0.43
ALDH1A1 P00352 3/20 0.39
HTT P42858 1/20 0.39
NT5M Q9NPB1 1/20 0.37
BCHE P06276 3/20 0.36
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
ALB P02768 1/20 0.35
ADRA1A P35348 1/20 0.35
BLM P54132 1/20 0.35
TK2 O00142 1/20 0.34
TERT O14746 1/20 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
SCHEMBL4267257 1.00 RNASE1 (0.45) RNASE1TK1ALDH1A1HTTNT5M
SCHEMBL4275804 1.00 RNASE1 (0.45) RNASE1TK1ALDH1A1HTTNT5M
SCHEMBL4261563 1.00 RNASE1 (0.45) RNASE1TK1ALDH1A1HTTNT5M
SCHEMBL4261262 1.00 RNASE1 (0.45) RNASE1TK1ALDH1A1HTTNT5M
SCHEMBL4262842 0.91 HSP90AA1 (0.37) RNASE1TK1ALDH1A1HTTPOLB
SCHEMBL4260798 0.91 HSP90AA1 (0.37) RNASE1TK1ALDH1A1HTTPOLB
SCHEMBL4328472 0.91 HSP90AA1 (0.37) RNASE1TK1ALDH1A1HTTPOLB
SCHEMBL4268345 0.91 HSP90AA1 (0.37) RNASE1TK1ALDH1A1HTTPOLB
SCHEMBL4260728 0.91 HSP90AA1 (0.37) RNASE1TK1ALDH1A1HTTPOLB
SCHEMBL4263186 0.89 ALDH1A1 (0.39) TK1ALDH1A1POLBLMNAALB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227431-B2 Nucleoside derivatives HETERO DRUGS LIMITED (IN) 2012-07-24 US claimed
WO-2009115893-A2 NOVEL NUCLEOSIDE DERIVATIVES HETERO RESEARCH FOUNDATION (IN) 2009-09-24 WO claimed
US-20090233879-A1 NOVEL NUCLEOSIDE DERIVATIVES HETERO DRUGS LIMITED (IN) 2009-09-17 US claimed
US-8227431-B2 Nucleoside derivatives HETERO DRUGS LIMITED (IN) 2012-07-24 US disclosed
WO-2009115893-A2 NOVEL NUCLEOSIDE DERIVATIVES HETERO RESEARCH FOUNDATION (IN) 2009-09-24 WO disclosed
US-20090233879-A1 NOVEL NUCLEOSIDE DERIVATIVES HETERO DRUGS LIMITED (IN) 2009-09-17 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-20090233879-A1 NOVEL NUCLEOSIDE DERIVATIVES ENTPD5, PNP, ENTPD1 RNASE1 47/4885TK1 94/4885ALDH1A1 2855/4885

“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.