SCHEMBL9994258

SCHEMBL9994258

CC(C)(Sc1ccccc1-c1ccc(C2CC2)nc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 20/20 0.50

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
SCHEMBL15025792 0.90 SLC22A12 (0.39) SLC22A12
SCHEMBL9994630 0.84 DGAT1 (0.39) SLC22A12
SCHEMBL12069098 0.82 SLC22A12 (0.51) SLC22A12
SCHEMBL9994221 0.73 SLC22A12 (0.74) SLC22A12
SCHEMBL12069059 0.72 SLC22A12 (0.67) SLC22A12
SCHEMBL12069096 0.71 SLC22A12 (0.68) SLC22A12
SCHEMBL9994029 0.70 SLC22A12 (0.69) SLC22A12
SCHEMBL20924043 0.70 NOTUM (0.46)
SCHEMBL12071326 0.68 SLC22A12 (0.70) SLC22A12
SCHEMBL12069320 0.68 SLC22A12 (0.54) SLC22A12

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-9212135-B2 Phenylthioacetate compounds, compositions and methods of use ARDEA BIOSCIENCES, INC. (US) 2015-12-15 US disclosed
US-20150322006-A1 PHENYLTHIOACETATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. 2015-11-12 US disclosed
US-20130150381-A1 PHENYLTHIOACETATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCE, INC. (US) 2013-06-13 US disclosed
EP-2582664-A2 PHENYLTHIOACETATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE Ardea Biosciences, Inc. (US) 2013-04-24 EP disclosed
WO-2011159840-A2 PHENYLTHIOACETATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-12-22 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 (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-20130150381-A1 PHENYLTHIOACETATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MPST, PON1, NUDT1 SLC22A12 628/4885
US-20150322006-A1 PHENYLTHIOACETATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE PON1, NUDT1, HPRT1 SLC22A12 450/4885

“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.