SCHEMBL3554681

SCHEMBL3554681

CCCCN(c1ccccc1CCc1ccc(C(=O)O)cc1)S(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 3/20 0.55
KEAP1 Q14145 2/20 0.45
NFE2L2 Q16236 2/20 0.45
ALOX5 P09917 3/20 0.44
TSHR P16473 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
PTGES O14684 2/20 0.40
RARB P10826 2/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
EP300 Q09472 1/20 0.38
KAT5 Q92993 1/20 0.38
KAT8 Q9H7Z6 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL3562326 0.96 SLC16A3 (0.53) SLC16A3KEAP1NFE2L2ALOX5TSHR
SCHEMBL3555861 0.91 SLC16A3 (0.44) SLC16A3KEAP1NFE2L2ALOX5PTGES
SCHEMBL3555950 0.86 TAS2R14 (0.46) SLC16A3ALOX5PTGESRARBMEN1
SCHEMBL3560865 0.85 ALOX5 (0.57) KEAP1NFE2L2ALOX5PTGESRARB
SCHEMBL3563471 0.84 TAS2R14 (0.44) SLC16A3ALOX5PTGESRARBL3MBTL1
SCHEMBL3555209 0.83 ALOX5 (0.46) KEAP1ALOX5PTGESRARBMEN1
SCHEMBL3558035 0.83 TSHR (0.49) SLC16A3ALOX5TSHRPTGES
SCHEMBL3563720 0.83 ALOX5 (0.45) SLC16A3ALOX5PTGESMEN1LMNA
SCHEMBL3564284 0.83 ALOX5 (0.58) KEAP1NFE2L2ALOX5TRPM8PTGES
SCHEMBL3557378 0.83 ALOX5 (0.58) KEAP1NFE2L2ALOX5PTGESMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816397-B2 Phenylcarboxylic acid derivatives and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2010-10-19 US claimed
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes MERCK PATENT GMBH (DE) 2008-02-21 US claimed
US-7816397-B2 Phenylcarboxylic acid derivatives and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2010-10-19 US disclosed
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes MERCK PATENT GMBH (DE) 2008-02-21 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 (1 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-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes SLC5A1, ALDH7A1, ASS1 SLC16A3 425/4885KEAP1 1284/4885NFE2L2 896/4885

“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.