SCHEMBL3071298

SCHEMBL3071298

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

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TK2 O00142 5/20 0.49
SLC6A2 P23975 1/20 0.43
ABCG2 Q9UNQ0 3/20 0.39
ABCB1 P08183 1/20 0.39
RNASE1 P07998 1/20 0.36
SHBG P04278 1/20 0.35
TPSAB1 Q15661 1/20 0.34
TPSD1 Q9BZJ3 1/20 0.34
TPSG1 Q9NRR2 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL3075654 0.82 SLC6A2 (0.47) SLC6A2ABCG2ABCB1RNASE1SHBG
SCHEMBL18670788 0.81 TK2 (0.56) TK2SLC6A2ABCG2ABCB1RNASE1
SCHEMBL3082773 0.79 TK2 (0.47) TK2ABCG2ABCB1
SCHEMBL9745089 0.77 ABCG2 (0.53) TK2SLC6A2ABCG2ABCB1RNASE1
SCHEMBL3078239 0.76 ALDH1A1 (0.42) RNASE1
SCHEMBL3075364 0.76 TK2 (0.43) TK2ABCG2ABCB1
SCHEMBL11575184 0.75 SLC6A2 (0.61) TK2SLC6A2ABCG2RNASE1
SCHEMBL3079656 0.75 TOP2A (0.42) RNASE1
SCHEMBL11575187 0.75 SLC6A2 (0.61) TK2SLC6A2ABCG2RNASE1
SCHEMBL3082760 0.73 TK2 (0.64) TK2ABCG2ABCB1

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 TK2 34/4885SLC6A2 858/4885ABCG2 1186/4885

“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.