SCHEMBL845526

SCHEMBL845526

CCOC(=O)CSc1onc(C)c1-c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 2/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
ELANE P08246 1/20 0.47
TYMS P04818 1/20 0.47
PRNP P04156 7/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
RXFP1 Q9HBX9 5/20 0.45
TSHR P16473 2/20 0.45
ABCB1 P08183 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL846430 0.86 MEN1 (0.43) ALDH1A1SMN1; SMN2HPGDMAPTKDM4E
SCHEMBL845887 0.79 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2HPGDMAPTKDM4E
SCHEMBL845616 0.78 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HPGDMAPTKDM4E
SCHEMBL860937 0.74 TYMS (0.50) ALDH1A1SMN1; SMN2HPGDMAPTKDM4E
SCHEMBL28702281 0.73 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2HPGDMAPTKDM4E
SCHEMBL857677 0.72 TYMS (0.53) ALDH1A1SMN1; SMN2HPGDMAPTKDM4E
SCHEMBL847350 0.72 PRNP (0.51) ALDH1A1SMN1; SMN2HPGDMAPTKDM4E
SCHEMBL31526347 0.71 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2HPGDMAPTKDM4E
SCHEMBL862262 0.70 PRNP (0.52) ALDH1A1SMN1; SMN2HPGDMAPTKDM4E
SCHEMBL845692 0.70 KDM4E (0.48) ALDH1A1SMN1; SMN2HPGDMAPTKDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122780-A1 Compounds, Compositions and Methods for Modulating Uric Acid Levels ARDEA BIOSCIENCES INC. (US) 2012-05-17 US disclosed
US-20120122780-A1 Compounds, Compositions and Methods for Modulating Uric Acid Levels ARDEA BIOSCIENCES INC. (US) 2012-05-17 US disclosed
US-20120122780-A1 Compounds, Compositions and Methods for Modulating Uric Acid Levels ARDEA BIOSCIENCES INC. (US) 2012-05-17 US disclosed
EP-2432774-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR MODULATING URIC ACID LEVELS Ardea Biosciences, Inc. (US) 2012-03-28 EP disclosed
WO-2010135530-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES, INC. (US) 2010-11-25 WO disclosed
WO-2010135530-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES, INC. (US) 2010-11-25 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-20120122780-A1 Compounds, Compositions and Methods for Modulating Uric Acid Levels XDH, PON1, RBP4 ALDH1A1 188/4885SMN1; SMN2 1435/4885HPGD 846/4885

“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.