SCHEMBL3087451

SCHEMBL3087451

C=C(Br)c1cn([C@@]2(F)C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALOX12 P18054 1/20 0.35
ADRA1A P35348 1/20 0.35
TK1 P04183 3/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PYGM P11217 1/20 0.33
TK2 O00142 1/20 0.33

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
SCHEMBL28551951 0.83 LMNA (0.51) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL29943756 0.82 TK1 (0.43) LMNAADRA1ATK1TSHRBLM
SCHEMBL2294 0.82 TK1 (0.43) LMNAADRA1ATK1TSHRBLM
SCHEMBL8846493 0.82 TK1 (0.50) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL3978670 0.80 PYGM (0.37) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL7257326 0.80 PYGM (0.39) LMNASMN1; SMN2ALOX12ADRA1ATK1
SCHEMBL3087455 0.80 TK1 (0.54) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL3968330 0.76 PYGM (0.37) LMNASMN1; SMN2TK1CYP1A2CYP3A4
Trichloroethylene SCHEMBL9395208 0.76 TK1 (0.41) LMNASMN1; SMN2TK1TSHRBLM
SCHEMBL3973110 0.76 PYGM (0.37) LMNASMN1; SMN2TK1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 LMNA 1868/4885SMN1; SMN2 1379/4885ALOX12 3669/4885

“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.