SCHEMBL10239442

SCHEMBL10239442

Cc1cn([C@H]2CC3OP(=S)(Nc4ccccc4)OC[C@H]3O2)c(=O)[nH]c1=O

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.60
NT5M Q9NPB1 1/20 0.48
TK1 P04183 5/20 0.44
RNASE1 P07998 1/20 0.44
TK2 O00142 1/20 0.41

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
SCHEMBL17826611 0.83 DHFR (0.45) DHFRTK1
SCHEMBL10239456 0.77 DHFR (0.67) DHFRNT5MTK1
SCHEMBL10150542 0.76 DHFR (0.33) DHFR
SCHEMBL16558263 0.76 DHFR (1.00) DHFRNT5MTK1
SCHEMBL1619438 0.76 DHFR (1.00) DHFRNT5MTK1
SCHEMBL30968383 0.76 DHFR (1.00) DHFRNT5MTK1
SCHEMBL10239450 0.75 DHFR (0.64) DHFRNT5MTK1
SCHEMBL29144164 0.75 DHFR (0.73) DHFRNT5MTK1
SCHEMBL10239772 0.74 DHFR (0.72) DHFRNT5MTK1
SCHEMBL15865916 0.74 DHFR (0.59) DHFRNT5MTK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170002037-A1 CYCLIC NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. 2017-01-05 US disclosed
US-8772474-B2 Cyclic nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2014-07-08 US disclosed
WO-2012088155-A1 CYCLIC NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-06-28 WO 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-20170002037-A1 CYCLIC NUCLEOTIDE ANALOGS NT5C2, NTPCR, PNP DHFR 363/4885NT5M 118/4885TK1 46/4885

“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.