SCHEMBL3079827

SCHEMBL3079827

C=C(Br)c1cn([C@]2(S(C)(=O)=O)O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PYGM P11217 3/20 0.34
TK2 O00142 3/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TK1 P04183 2/20 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
SCHEMBL14785922 0.87 PYGM (0.35) PYGMTK2LMNASMN1; SMN2
SCHEMBL27355175 0.84 TK1 (0.40) TK2LMNATK1
SCHEMBL3968330 0.81 PYGM (0.37) PYGMTK2LMNASMN1; SMN2TK1
SCHEMBL3973110 0.81 PYGM (0.37) PYGMTK2LMNASMN1; SMN2TK1
SCHEMBL3978670 0.81 PYGM (0.37) PYGMTK2LMNASMN1; SMN2TK1
SCHEMBL3079836 0.80 TK2 (0.52) TK2TK1
SCHEMBL3968348 0.80 PYGM (0.35) PYGMTK2LMNASMN1; SMN2TK1
SCHEMBL8930585 0.76 SLC28A1 (0.45)
SCHEMBL7256295 0.74 TK1 (0.39) TK2LMNATK1
SCHEMBL3977864 0.74 RNASE1 (0.35) PYGMTK2

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-8492537-B2 Nucleosides for suppressing or reducing the development of resistance in cytostatic therapy RESPROTECT GMBH (DE) 2013-07-23 US disclosed
US-20100227834-A1 NUCLEOSIDES FOR SUPPRESSING OR REDUCING THE DEVELOPMENT OF RESISTANCE IN CYTOSTATIC THERAPY RESprotech GmbH (DE) 2010-09-09 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-20100227834-A1 NUCLEOSIDES FOR SUPPRESSING OR REDUCING THE DEVELOPMENT OF RESISTANCE IN CYTOSTATIC THERAPY TYMP, ENTPD5, NTPCR PYGM 1888/4885TK2 34/4885LMNA 1868/4885

“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.