SCHEMBL3555853

SCHEMBL3555853

COc1cccc(S(=O)(=O)Nc2ccccc2CCc2ccccc2C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.56
NFE2L2 Q16236 2/20 0.56
SLC16A3 O15427 5/20 0.55
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
PGR P06401 1/20 0.51
AKR1C3 P42330 1/20 0.49
GAA P10253 2/20 0.49
GLO1 Q04760 1/20 0.49
SLC40A1 Q9NP59 1/20 0.49
PGAM1 P18669 1/20 0.48
PTGES2 Q9H7Z7 1/20 0.48
KAT6A Q92794 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.48

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
SCHEMBL3560551 0.96 KEAP1 (0.54) KEAP1NFE2L2SLC16A3MEN1KMT2A
SCHEMBL3557703 0.95 KEAP1 (0.53) KEAP1NFE2L2SLC16A3MEN1KMT2A
SCHEMBL3559360 0.87 LMNA (0.61) KEAP1NFE2L2SLC16A3MEN1KMT2A
SCHEMBL3561994 0.87 SLC16A3 (0.73) KEAP1NFE2L2SLC16A3AKR1C3
SCHEMBL23200342 0.87 MEN1 (0.66) KEAP1NFE2L2SLC16A3MEN1KMT2A
SCHEMBL3555833 0.86 PGR (0.60) MEN1KMT2APGRAKR1C3
SCHEMBL3561861 0.86 SLC16A3 (0.70) KEAP1NFE2L2SLC16A3AKR1C3
SCHEMBL3563734 0.85 AKR1C3 (0.53) KEAP1NFE2L2SLC16A3MEN1KMT2A
SCHEMBL3554601 0.85 MEN1 (0.57) SLC16A3MEN1KMT2AGAA
SCHEMBL3561138 0.84 SMN1; SMN2 (0.59) KEAP1NFE2L2SLC16A3MEN1KMT2A

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 KEAP1 1284/4885NFE2L2 896/4885SLC16A3 425/4885

“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.