SCHEMBL3561071

SCHEMBL3561071

CC(C)c1ccc(S(=O)(=O)Nc2cccc(CCc3ccccc3C(=O)O)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.51
SLC16A3 O15427 2/20 0.50
SLC2A1 P11166 1/20 0.50
PTGES O14684 1/20 0.48
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
MAPT P10636 1/20 0.47
MALT1 Q9UDY8 1/20 0.47
MCL1 Q07820 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL3561338 0.89 HTR6 (0.62) HTR6SLC16A3PTGESKEAP1NFE2L2
SCHEMBL3556527 0.88 ALDH1A1 (0.56) HTR6SLC16A3KEAP1NFE2L2MEN1
SCHEMBL3554566 0.88 MAPT (0.60) HTR6SLC16A3KEAP1NFE2L2MAPT
SCHEMBL3558130 0.88 HDAC8 (0.53) HTR6SLC16A3MAPTMCL1POLB
SCHEMBL3562226 0.87 ALDH1A1 (0.58) HTR6SLC16A3KEAP1NFE2L2MAPT
SCHEMBL3551639 0.87 SLC16A3 (0.59) HTR6SLC16A3KEAP1NFE2L2MAPT
SCHEMBL3555114 0.86 CA12 (0.58) HTR6SLC16A3KEAP1NFE2L2MEN1
SCHEMBL3562892 0.86 METAP2 (0.57) HTR6SLC16A3KEAP1NFE2L2MAPT
SCHEMBL3556257 0.86 SLC16A3 (0.67) HTR6SLC16A3KEAP1NFE2L2MAPT
SCHEMBL3561347 0.86 PDE4B (0.46) HTR6SLC16A3PTGESMCL1

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 HTR6 2387/4885SLC16A3 425/4885SLC2A1 50/4885

“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.