SCHEMBL3078294

SCHEMBL3078294

CC(C)(C)OC(=O)NCC(=O)OC[C@@H]1O[C@H](n2cc(/C=C/Br)c(=O)[nH]c2=O)CC1Cl

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TK2 O00142 10/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
TSHR P16473 1/20 0.51
TK1 P04183 1/20 0.51
BLM P54132 1/20 0.51
PMP22 Q01453 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TYMS P04818 1/20 0.41
ABCG2 Q9UNQ0 2/20 0.38

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
SCHEMBL3078295 1.00 TK2 (0.51) TK2CYP1A2CYP3A4TSHRTK1
SCHEMBL14292729 1.00 TK2 (0.51) TK2CYP1A2CYP3A4TSHRTK1
SCHEMBL13141383 0.93 TK2 (0.43) TK2CYP1A2CYP3A4TSHRTK1
SCHEMBL14293138 0.92 TK2 (0.61) TK2CYP1A2CYP3A4TSHRTK1
SCHEMBL3082518 0.86 TK1 (0.48) TK2CYP1A2CYP3A4TSHRTK1
SCHEMBL13141385 0.85 TK2 (0.52) TK2CYP1A2CYP3A4TSHRTK1
SCHEMBL17146890 0.84 TK1 (0.60) TK2CYP1A2CYP3A4TSHRTK1
SCHEMBL3078268 0.84 TK1 (0.46) TK2CYP1A2CYP3A4TSHRTK1
SCHEMBL11202018 0.83 TK2 (0.59) TK2CYP1A2CYP3A4TSHRTK1
SCHEMBL3082760 0.82 TK2 (0.64) TK2CYP1A2CYP3A4TSHRTK1

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 34/4885CYP1A2 2851/4885CYP3A4 3995/4885

“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.