SCHEMBL3079656

SCHEMBL3079656

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

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 6/20 0.42
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TK1 P04183 2/20 0.38
TYMS P04818 2/20 0.37
RNASE1 P07998 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
SCHEMBL8424549 0.90 TOP2A (0.52) TOP2ATK1RNASE1
SCHEMBL3078239 0.86 ALDH1A1 (0.42) ALDH1A1POLBKMT2ASMN1; SMN2TK1
SCHEMBL6831233 0.81 TOP2A (0.53) TOP2ATK1RNASE1
SCHEMBL3066260 0.81 SMN1; SMN2 (0.44) ALDH1A1POLBKMT2ASMN1; SMN2TK1
SCHEMBL3072159 0.80 SMN1; SMN2 (0.44) ALDH1A1POLBKMT2ASMN1; SMN2TK1
SCHEMBL3066252 0.80 SMN1; SMN2 (0.44) ALDH1A1POLBKMT2ASMN1; SMN2TK1
SCHEMBL1172397 0.80 TYMS (0.54) SMN1; SMN2TK1TYMS
SCHEMBL3087405 0.80 ALDH1A1 (0.37) TOP2AALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL24059082 0.80 TOP2A (0.55) TOP2ATK1RNASE1
SCHEMBL6830250 0.80 TOP2A (0.51) TOP2ATK1RNASE1

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 TOP2A 189/4885ALDH1A1 1238/4885POLB 288/4885

“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.