SCHEMBL3078009

SCHEMBL3078009

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

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TK2 O00142 2/20 0.55
DTYMK P23919 1/20 0.46
TK1 P04183 5/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL3082887 0.92 TK2 (0.46) TK2DTYMKTK1LMNASMN1; SMN2
SCHEMBL2056542 0.84 TK2 (0.73) TK2DTYMKTK1LMNATSHR
SCHEMBL2056538 0.84 TK2 (0.73) TK2DTYMKTK1LMNATSHR
SCHEMBL3066258 0.82 TK1 (0.52) TK2TK1LMNASMN1; SMN2CYP1A2
SCHEMBL5983818 0.82 TK1 (0.67) TK2TK1LMNASMN1; SMN2CYP1A2
SCHEMBL1172396 0.82 TK1 (0.67) TK2TK1LMNASMN1; SMN2CYP1A2
SCHEMBL3078018 0.81 TK1 (0.70) TK2TK1CYP1A2CYP3A4TSHR
SCHEMBL3078014 0.81 TK1 (0.70) TK2TK1CYP1A2CYP3A4TSHR
SCHEMBL3072158 0.81 LMNA (0.54) TK2TK1LMNASMN1; SMN2CYP1A2
SCHEMBL3066249 0.81 TK1 (0.51) TK2TK1LMNASMN1; SMN2CYP1A2

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
EP-2054406-B1 NUCLEOSIDES FOR SUPPRESSING OR REDUCING THE DEVELOPMENT OF RESISTANCE IN CYTOSTATIC THERAPY RESPROTECT GMBH (DE) 2015-10-07 EP disclosed
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 TK2 34/4885DTYMK 101/4885TK1 40/4885

“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.