SCHEMBL3563480

SCHEMBL3563480

O=C(O)c1ccccc1CCc1cccc(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)cs2)c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.46
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
SLC16A3 O15427 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAB1 Q13480 1/20 0.40
ADRB2 P07550 1/20 0.40
PHGDH O43175 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL3557484 0.90 HDAC1 (0.45) HTR6KEAP1NFE2L2SLC16A3ALDH1A1
SCHEMBL3556918 0.89 HTR6 (0.48) HTR6SLC16A3ALDH1A1THRB
SCHEMBL3552308 0.88 HTR6 (0.46) HTR6KEAP1NFE2L2SLC16A3ALDH1A1
SCHEMBL3562949 0.86 HTR6 (0.47) HTR6KEAP1NFE2L2ALDH1A1PHGDH
SCHEMBL3556126 0.85 MEN1 (0.47) SLC16A3ALDH1A1GAB1
SCHEMBL3561338 0.84 HTR6 (0.62) HTR6KEAP1NFE2L2SLC16A3ALDH1A1
SCHEMBL3561772 0.83 ALDH1A1 (0.62) ALDH1A1
SCHEMBL3561549 0.82 SLC16A3 (0.63) SLC16A3GAB1
SCHEMBL3560665 0.82 MEN1 (0.49) SLC16A3THRB
SCHEMBL3552311 0.82 HTR6 (0.44) HTR6KEAP1NFE2L2SLC16A3ALDH1A1

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 2387/4885KEAP1 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.