SCHEMBL3078239

SCHEMBL3078239

C=COC[C@H]1O[C@@H](n2cc(Br)c(=O)[nH]c2=O)C[C@@H]1OC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TK1 P04183 5/20 0.40
TYMS P04818 1/20 0.39
RNASE1 P07998 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PYGM P11217 1/20 0.39

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
SCHEMBL13282412 0.90 SMN1; SMN2 (0.46) ALDH1A1POLBKMT2ASMN1; SMN2TK1
SCHEMBL3079656 0.86 TOP2A (0.42) ALDH1A1POLBKMT2ASMN1; SMN2TK1
SCHEMBL3066260 0.86 SMN1; SMN2 (0.44) ALDH1A1POLBKMT2ASMN1; SMN2TK1
SCHEMBL1172397 0.85 TYMS (0.54) SMN1; SMN2TK1TYMSCYP1A2CYP3A4
SCHEMBL3072159 0.85 SMN1; SMN2 (0.44) ALDH1A1POLBKMT2ASMN1; SMN2TK1
SCHEMBL3066252 0.85 SMN1; SMN2 (0.44) ALDH1A1POLBKMT2ASMN1; SMN2TK1
SCHEMBL3078011 0.81 TK2 (0.44) ALDH1A1POLBKMT2ASMN1; SMN2TK1
SCHEMBL14074092 0.81 TYMS (0.46) TK1TYMSRNASE1CYP1A2CYP3A4
SCHEMBL17135519 0.80 TK1 (0.56) ALDH1A1POLBKMT2ASMN1; SMN2TK1
SCHEMBL3970918 0.79 ALDH1A1 (0.49) ALDH1A1POLBKMT2ASMN1; SMN2TK1

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 5 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
EP-2054406-A1 NUCLEOSIDES FOR SUPPRESSING OR REDUCING THE DEVELOPMENT OF RESISTANCE IN CYTOSTATIC THERAPY RESprotect GmbH (DE) 2009-05-06 EP disclosed
WO-2008017515-A1 NUCLEOSIDES FOR SUPPRESSING OR REDUCING THE DEVELOPMENT OF RESISTANCE IN CYTOSTATIC THERAPY RESPROTECT GMBH (DE) 2008-02-14 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-20100227834-A1 NUCLEOSIDES FOR SUPPRESSING OR REDUCING THE DEVELOPMENT OF RESISTANCE IN CYTOSTATIC THERAPY TYMP, ENTPD5, NTPCR ALDH1A1 1238/4885POLB 288/4885KMT2A 2577/4885

“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.