SCHEMBL3071100

SCHEMBL3071100

O=c1[nH]c(=O)n([C@H]2O[C@@H](CO)C(O)C2F)cc1/C=C/Br

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TK2 O00142 10/20 0.81
TK1 P04183 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
TSHR P16473 1/20 0.62
BLM P54132 1/20 0.62
PMP22 Q01453 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
PYGM P11217 2/20 0.54

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
SCHEMBL3191951 1.00 TK2 (0.81) TK2TK1CYP1A2CYP3A4TSHR
SCHEMBL16003484 1.00 TK2 (0.81) TK2TK1CYP1A2CYP3A4TSHR
SCHEMBL3071103 1.00 TK2 (0.81) TK2TK1CYP1A2CYP3A4TSHR
SCHEMBL2924506 1.00 TK2 (0.81) TK2TK1CYP1A2CYP3A4TSHR
SCHEMBL1619757 1.00 TK2 (0.81) TK2TK1CYP1A2CYP3A4TSHR
SCHEMBL7612597 0.91 TK2 (0.67) TK2TK1CYP1A2CYP3A4TSHR
SCHEMBL3080909 0.91 TK2 (0.67) TK2TK1CYP1A2CYP3A4TSHR
SCHEMBL3080907 0.91 TK2 (0.67) TK2TK1CYP1A2CYP3A4TSHR
SCHEMBL7612603 0.91 TK2 (0.67) TK2TK1CYP1A2CYP3A4TSHR
SCHEMBL29519888 0.91 TK2 (0.67) TK2TK1CYP1A2CYP3A4TSHR

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 34/4885TK1 40/4885CYP1A2 2851/4885

“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.