SCHEMBL15025919

SCHEMBL15025919

CC(=O)C(C)(C)Sc1ccccc1-c1ccc(C(N)=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 9/20 0.54
MKNK1 Q9BUB5 4/20 0.44
MKNK2 Q9HBH9 3/20 0.44
PDK2 Q15119 3/20 0.39
CHEK2 O96017 1/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
PARP1 P09874 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CREBBP Q92793 1/20 0.38
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.36

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
SCHEMBL12069096 0.89 SLC22A12 (0.68) SLC22A12
SCHEMBL15025884 0.82 SLC22A12 (0.57) SLC22A12POLB
SCHEMBL15163965 0.81 SLC22A12 (0.81) SLC22A12
SCHEMBL15025968 0.81 SLC22A12 (0.53) SLC22A12
SCHEMBL15025886 0.79 SLC22A12 (0.57) SLC22A12
SCHEMBL15025979 0.79 SLC22A12 (0.55) SLC22A12
SCHEMBL28869486 0.79 MKNK1 (0.51) MKNK1MKNK2CHEK2MAPTPOLB
SCHEMBL28264223 0.74 MKNK1 (0.61) MKNK1MKNK2PDK2CHEK2MAPT
SCHEMBL30231796 0.73 SIRT1 (0.56) SLC22A12MKNK1MKNK2CHEK2MAPT
SCHEMBL15025963 0.71 MKNK1 (0.42) SLC22A12MKNK1MKNK2PDK2CHEK2

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 628/4885MKNK1 3664/4885MKNK2 3984/4885
US-20150322006-A1 PHENYLTHIOACETATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE PON1, NUDT1, HPRT1 SLC22A12 450/4885MKNK1 3856/4885MKNK2 4060/4885

“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.