SCHEMBL15025792

SCHEMBL15025792

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

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 14/20 0.39
NOTUM Q6P988 2/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
IDO1 P14902 1/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35

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
SCHEMBL9994258 0.90 SLC22A12 (0.50) SLC22A12
SCHEMBL9994630 0.84 DGAT1 (0.39) SLC22A12IDO1
SCHEMBL15025886 0.73 SLC22A12 (0.57) SLC22A12
SCHEMBL15025968 0.72 SLC22A12 (0.53) SLC22A12
SCHEMBL12069098 0.72 SLC22A12 (0.51) SLC22A12
SCHEMBL15025919 0.71 SLC22A12 (0.54) SLC22A12
SCHEMBL15025979 0.70 SLC22A12 (0.55) SLC22A12
SCHEMBL20924043 0.70 NOTUM (0.46) NOTUMIDO1PTGS1PTGS2ALOX5AP
SCHEMBL15025884 0.68 SLC22A12 (0.57) SLC22A12
SCHEMBL15677625 0.67 FFAR4 (0.41) NOTUMIDO1PTGS1PTGS2

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 3 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

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 628/4885NOTUM 1447/4885IRAK4 3625/4885
US-20150322006-A1 PHENYLTHIOACETATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE PON1, NUDT1, HPRT1 SLC22A12 450/4885NOTUM 1192/4885IRAK4 3310/4885

“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.