SCHEMBL857677

SCHEMBL857677

CCOC(=O)CSc1c[nH]cc1-c1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.53
ALDH1A1 P00352 5/20 0.50
HPGD P15428 2/20 0.50
KDM4E B2RXH2 2/20 0.50
TP53 P04637 1/20 0.50
HTT P42858 1/20 0.50
HSD17B10 Q99714 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 3/20 0.48
ELANE P08246 1/20 0.47
PRNP P04156 6/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
RXFP1 Q9HBX9 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
ABCB1 P08183 1/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
CYP1A2 P05177 1/20 0.45

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
SCHEMBL860937 0.82 TYMS (0.50) TYMSALDH1A1HPGDKDM4ETP53
SCHEMBL859486 0.82 MEN1 (0.49) ALDH1A1HPGDKDM4EHTTHSD17B10
SCHEMBL28702281 0.82 ALDH1A1 (0.63) TYMSALDH1A1HPGDKDM4ETP53
SCHEMBL6598620 0.76 CDC25B (0.58) ALDH1A1HPGDKDM4EMAPTKMT2A
SCHEMBL847350 0.75 PRNP (0.51) TYMSALDH1A1HPGDKDM4ETP53
SCHEMBL845616 0.74 ALDH1A1 (0.47) TYMSALDH1A1HPGDKDM4ETP53
SCHEMBL30958038 0.74 PRNP (0.63) TYMSALDH1A1HPGDKDM4ETP53
SCHEMBL862262 0.74 PRNP (0.52) ALDH1A1HPGDKDM4ETP53HTT
SCHEMBL28061038 0.73 STAT3 (0.63) ALDH1A1KDM4EHSD17B10SMN1; SMN2MAPT
SCHEMBL845526 0.72 ALDH1A1 (0.47) TYMSALDH1A1HPGDKDM4ETP53

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-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

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 TYMS 2584/4885ALDH1A1 188/4885HPGD 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.