SCHEMBL3085099

SCHEMBL3085099

O=C(OC[C@H]1O[C@@H](n2cc(C=CBr)c(=O)[nH]c2=O)C[C@@H]1Br)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TK1 P04183 3/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
TSHR P16473 1/20 0.58
BLM P54132 1/20 0.58
PMP22 Q01453 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
TK2 O00142 5/20 0.53
RNASE1 P07998 1/20 0.50
TYMS P04818 2/20 0.45
NT5C Q8TCD5 1/20 0.42
NT5M Q9NPB1 1/20 0.42

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
SCHEMBL3085098 1.00 TK1 (0.58) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11204603 0.92 CYP1A2 (0.68) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11204606 0.92 CYP1A2 (0.68) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11204601 0.92 CYP1A2 (0.68) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11205790 0.90 RNASE1 (0.61) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11205795 0.90 RNASE1 (0.61) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL3077419 0.84 TK1 (0.65) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11203217 0.84 CYP1A2 (0.65) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11200828 0.84 TK1 (0.65) TK1CYP1A2CYP3A4TSHRBLM
SCHEMBL11203214 0.84 CYP1A2 (0.65) TK1CYP1A2CYP3A4TSHRBLM

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 TK1 40/4885CYP1A2 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.