SCHEMBL10239456

SCHEMBL10239456

COP1(=S)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)CC2O1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.67
TK1 P04183 7/20 0.53
NT5M Q9NPB1 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
SCHEMBL10239450 0.86 DHFR (0.64) DHFRTK1NT5M
SCHEMBL15865916 0.85 DHFR (0.59) DHFRTK1NT5M
SCHEMBL29144164 0.82 DHFR (0.73) DHFRTK1NT5M
SCHEMBL17826619 0.81 DHFR (0.49) DHFRTK1
SCHEMBL1619438 0.81 DHFR (1.00) DHFRTK1NT5M
SCHEMBL30968383 0.81 DHFR (1.00) DHFRTK1NT5M
SCHEMBL16558263 0.81 DHFR (1.00) DHFRTK1NT5M
SCHEMBL12303789 0.80 DHFR (0.67) DHFRTK1NT5M
SCHEMBL2455603 0.80 DHFR (0.67) DHFRTK1NT5M
SCHEMBL31084252 0.80 DHFR (0.67) DHFRTK1NT5M

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 363/4885TK1 46/4885NT5M 118/4885

“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.