SCHEMBL15025968

SCHEMBL15025968

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

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 16/20 0.53
BAZ2B Q9UIF8 1/20 0.45
BAZ2A Q9UIF9 1/20 0.45
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
LTB4R2 Q9NPC1 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
SCHEMBL12069059 0.88 SLC22A12 (0.67) SLC22A12
SCHEMBL15025884 0.86 SLC22A12 (0.57) SLC22A12
SCHEMBL15025919 0.81 SLC22A12 (0.54) SLC22A12
SCHEMBL15025886 0.81 SLC22A12 (0.57) SLC22A12
SCHEMBL15025979 0.80 SLC22A12 (0.55) SLC22A12
SCHEMBL12071326 0.75 SLC22A12 (0.70) SLC22A12
SCHEMBL15025792 0.72 SLC22A12 (0.39) SLC22A12
SCHEMBL15025791 0.70 SLC22A12 (0.42) SLC22A12BAZ2BBAZ2ALTB4R2
SCHEMBL12069096 0.70 SLC22A12 (0.68) SLC22A12
SCHEMBL12069499 0.70 SLC22A12 (1.00) 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 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 628/4885BAZ2B 3736/4885BAZ2A 3858/4885
US-20150322006-A1 PHENYLTHIOACETATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE PON1, NUDT1, HPRT1 SLC22A12 450/4885BAZ2B 3894/4885BAZ2A 3908/4885

“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.