SCHEMBL10177202

SCHEMBL10177202

Cc1ccc(-n2c(C)nnc2SCC(=O)O)c2c1CCCC2

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 7/20 0.48
TSHR P16473 1/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL19420539 0.88 SLC22A12 (0.60) SLC22A12ALDH1A1HTTKMT2AGAA
SCHEMBL2679426 0.88 SLC22A12 (0.45) SLC22A12TSHRALDH1A1HTTKMT2A
SCHEMBL14700701 0.88 TSHR (0.53) SLC22A12TSHRALDH1A1HTTGAA
SCHEMBL21004933 0.87 SLC22A12 (0.53) SLC22A12ALDH1A1HTTGAAALOX15
SCHEMBL10177200 0.86 ALDH1A1 (0.46) TSHRALDH1A1KMT2AGAAHSD17B10
SCHEMBL1299896 0.86 SLC22A12 (0.48) SLC22A12TSHRALDH1A1KMT2AGAA
SCHEMBL4736052 0.85 SLC22A12 (0.45) SLC22A12ALDH1A1HTTKMT2AGAA
SCHEMBL10177127 0.81 SLC22A12 (0.43) SLC22A12ALDH1A1HTTKMT2AKDM4E
SCHEMBL10176730 0.80 SLC22A12 (0.47) SLC22A12ALDH1A1
SCHEMBL4735698 0.80 SLC22A12 (0.48) SLC22A12ALDH1A1KMT2AGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170281601-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. 2017-10-05 US disclosed
US-20160221970-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. 2016-08-04 US disclosed
US-20160221969-A1 Compounds, compositions and methods of using same for modulating uric acid levels ARDEA BIOSCIENCES, INC. 2016-08-04 US disclosed
US-8633232-B2 Compounds, compositions and methods of using same for modulating uric acid levels ARDEA BIOSCIENCES, INC. (US) 2014-01-21 US disclosed
US-8546437-B2 Compounds and compositions and methods of use ARDEA BIOSCIENCES, INC. (US) 2013-10-01 US disclosed
US-20130040907-A1 Compounds, Compositions and Methods of Using Same for Modulating Uric Acid Levels ARDEA BIOSCIENCES INC. (US) 2013-02-14 US disclosed
US-8357713-B2 Compounds and compositions and methods of use ARDEA BIOSCIENCES INC. (US) 2013-01-22 US disclosed
US-8283369-B2 Compounds and compositions and methods of use ARDEA BIOSCIENCES. INC. (US) 2012-10-09 US disclosed
US-20120164222-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2012-06-28 US disclosed
US-8084483-B2 Compounds and compositions and methods of use ARDEA BIOSCIENCES, INC. (US) 2011-12-27 US disclosed
US-8084483-B2 Compounds and compositions and methods of use ARDEA BIOSCIENCES, INC. (US) 2011-12-27 US disclosed
US-20110293719-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-12-01 US disclosed
US-20110268801-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-11-03 US disclosed
US-20090197825-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2009-08-06 US disclosed
US-20090197825-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2009-08-06 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 (8 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-20120164222-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE XDH, PON1, GLS SLC22A12 1122/4885TSHR 4035/4885ALDH1A1 186/4885
US-20090197825-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE XDH, PON1, GLS SLC22A12 1122/4885TSHR 4035/4885ALDH1A1 186/4885
US-20160221969-A1 Compounds, compositions and methods of using same for modulating uric acid levels XDH, PON1, OAT SLC22A12 1095/4885TSHR 4281/4885ALDH1A1 276/4885
US-20110268801-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE XDH, PON1, GLS SLC22A12 1122/4885TSHR 4035/4885ALDH1A1 186/4885
US-20160221970-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE XDH, PON1, GLS SLC22A12 1122/4885TSHR 4035/4885ALDH1A1 186/4885
US-20170281601-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE XDH, PON1, GLS SLC22A12 1122/4885TSHR 4035/4885ALDH1A1 186/4885
US-20110293719-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE XDH, PON1, GLS SLC22A12 1122/4885TSHR 4035/4885ALDH1A1 186/4885
US-20130040907-A1 Compounds, Compositions and Methods of Using Same for Modulating Uric Acid Levels XDH, PON1, OAT SLC22A12 1095/4885TSHR 4281/4885ALDH1A1 276/4885

“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.