SCHEMBL10176847

SCHEMBL10176847

Cc1ccc(-n2ccnc2SC(C)(C)C(=O)O)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 14/20 0.49
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL10176853 0.86 SLC22A12 (0.47) SLC22A12CYP1A2CYP2C9SMN1; SMN2
SCHEMBL10176878 0.85 SLC22A12 (0.41) SLC22A12CYP1A2CYP2C9SMN1; SMN2
SCHEMBL10228276 0.85 TP53 (0.38) SLC22A12ALDH1A1TP53SMN1; SMN2
SCHEMBL10228283 0.84 TP53 (0.36) SLC22A12ALDH1A1TP53SMN1; SMN2
SCHEMBL10176874 0.83 SLC22A12 (0.64) SLC22A12CYP1A2CYP2C9
SCHEMBL10226528 0.83 TP53 (0.35) SLC22A12ALDH1A1TP53SMN1; SMN2
SCHEMBL10176721 0.81 SLC22A12 (0.46) SLC22A12ALDH1A1CYP1A2CYP2C9SMN1; SMN2
SCHEMBL10176857 0.80 ALDH1A1 (0.38) SLC22A12ALDH1A1
SCHEMBL10176882 0.80 SMN1; SMN2 (0.55) ALDH1A1TP53CYP1A2CYP2C9SMN1; SMN2
SCHEMBL19425964 0.79 SLC22A12 (0.51) SLC22A12CYP1A2CYP2C9

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190142805-A1 Novel Compounds and Compositions and Methods of Use ARDEA BIOSCIENCES INC. 2019-05-16 US disclosed
US-20170281601-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. 2017-10-05 US disclosed
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-20160221970-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. 2016-08-04 US disclosed
EP-2217577-B1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES INC (US) 2014-08-06 EP disclosed
US-8546437-B2 Compounds and compositions and methods of use ARDEA BIOSCIENCES, INC. (US) 2013-10-01 US disclosed
US-8546437-B2 Compounds and compositions and methods of use ARDEA BIOSCIENCES, INC. (US) 2013-10-01 US disclosed
US-8357713-B2 Compounds and compositions and methods of use ARDEA BIOSCIENCES INC. (US) 2013-01-22 US disclosed
US-8357713-B2 Compounds and compositions and methods of use ARDEA BIOSCIENCES INC. (US) 2013-01-22 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-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-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
WO-2009070740-A2 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES INC. (US) 2009-06-04 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 (7 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 1122/4885ALDH1A1 186/4885TP53 3778/4885
US-20090197825-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE XDH, PON1, GLS SLC22A12 1122/4885ALDH1A1 186/4885TP53 3778/4885
US-20110268801-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE XDH, PON1, GLS SLC22A12 1122/4885ALDH1A1 186/4885TP53 3778/4885
US-20160221970-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE XDH, PON1, GLS SLC22A12 1122/4885ALDH1A1 186/4885TP53 3778/4885
US-20170281601-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE XDH, PON1, GLS SLC22A12 1122/4885ALDH1A1 186/4885TP53 3778/4885
US-20110293719-A1 NOVEL COMPOUNDS AND COMPOSITIONS AND METHODS OF USE XDH, PON1, GLS SLC22A12 1122/4885ALDH1A1 186/4885TP53 3778/4885
US-20190142805-A1 Novel Compounds and Compositions and Methods of Use XDH, PON1, GLS SLC22A12 1122/4885ALDH1A1 186/4885TP53 3778/4885

“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.