SCHEMBL3072369

SCHEMBL3072369

O=c1[nH]c(=O)n([C@H]2C=C[C@@H](CBr)O2)cc1C=CBr

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TK2 O00142 9/20 0.54
TK1 P04183 3/20 0.52
BLM P54132 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
TSHR P16473 1/20 0.52
PMP22 Q01453 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
ALB P02768 1/20 0.49
POLB P06746 1/20 0.49
ADRA1A P35348 1/20 0.49
P2RY2 P41231 1/20 0.36
BCHE P06276 1/20 0.36

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
SCHEMBL3072291 0.88 TK2 (0.65) TK2TK1BLMCYP1A2CYP3A4
SCHEMBL3079373 0.78 TK2 (0.47) TK2TK1BLMCYP1A2CYP3A4
SCHEMBL3077781 0.76 BLM (0.44) TK2TK1BLMCYP1A2CYP3A4
SCHEMBL3072367 0.75 ALDH1A1 (0.51) TK2BLMALDH1A1LMNAALB
SCHEMBL3072351 0.75 TK2 (0.83) TK2TK1BLMCYP1A2CYP3A4
SCHEMBL3072352 0.75 TK2 (0.83) TK2TK1BLMCYP1A2CYP3A4
SCHEMBL3082909 0.74 TK1 (0.67) TK2TK1BLMCYP1A2CYP3A4
SCHEMBL3082914 0.74 TK1 (0.67) TK2TK1BLMCYP1A2CYP3A4
SCHEMBL14292728 0.74 TK1 (0.67) TK2TK1BLMCYP1A2CYP3A4
SCHEMBL14292581 0.73 TK1 (0.83) TK2TK1BLMCYP1A2CYP3A4

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 TK2 34/4885TK1 40/4885BLM 1356/4885

“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.