SCHEMBL2182179

SCHEMBL2182179

O=c1ccn([C@H]2C[C@H](O)[C@@H](C(O)C=CBr)O2)c(=O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DUT P33316 4/20 0.46
TK1 P04183 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SLC28A1 O00337 1/20 0.39
SLC28A2 O43868 1/20 0.39
SLC29A1 Q99808 1/20 0.39
SLC28A3 Q9HAS3 1/20 0.39
P2RY2 P41231 6/20 0.35
P2RY6 Q15077 2/20 0.35
P2RY4 P51582 2/20 0.35
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL1558106 1.00 DUT (0.46) DUTTK1CYP1A2CYP3A4TSHR
SCHEMBL3082857 0.89 DUT (0.39) DUTTK1CYP1A2CYP3A4TSHR
SCHEMBL3072377 0.88 DUT (0.39) DUTTK1CYP1A2CYP3A4TSHR
SCHEMBL10765602 0.86 DUT (0.51) DUTTK1CYP1A2CYP3A4TSHR
SCHEMBL249821 0.86 DUT (0.51) DUTTK1CYP1A2CYP3A4TSHR
SCHEMBL28745696 0.86 DUT (0.51) DUTTK1CYP1A2CYP3A4TSHR
SCHEMBL6034458 0.85 DUT (0.53) DUTTK1SLC28A1SLC28A2SLC29A1
SCHEMBL3340603 0.84 DUT (0.50) DUTTK1CYP1A2CYP3A4TSHR
SCHEMBL41471 0.84 DUT (0.50) DUTTK1CYP1A2CYP3A4TSHR
SCHEMBL2557435 0.84 DUT (0.50) DUTTK1CYP1A2CYP3A4TSHR

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
US-9181199-B2 Uracil derivatives and use thereof RESPROTECT GMBH (DE) 2015-11-10 US disclosed
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-20110166096-A1 URACIL DERIVATIVES AND USE THEREOF RESPROTECT GMBH (DE) 2011-07-07 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 (2 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-20110166096-A1 URACIL DERIVATIVES AND USE THEREOF TYMP, UNG, DPYD DUT 7/4885TK1 23/4885CYP1A2 2039/4885
US-20100227834-A1 NUCLEOSIDES FOR SUPPRESSING OR REDUCING THE DEVELOPMENT OF RESISTANCE IN CYTOSTATIC THERAPY TYMP, ENTPD5, NTPCR DUT 8/4885TK1 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.