SCHEMBL3552308

SCHEMBL3552308

O=C(O)c1ccccc1CCc1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.46
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
TYMS P04818 1/20 0.44
PFKFB3 Q16875 3/20 0.44
SLC16A3 O15427 3/20 0.42
ALDH1A1 P00352 2/20 0.41
ADRB2 P07550 1/20 0.41
THRB P10828 1/20 0.40

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
SCHEMBL3554439 0.89 PFKFB3 (0.53) HTR6TYMSPFKFB3SLC16A3THRB
SCHEMBL3561797 0.89 HDAC1 (0.45) HTR6TYMSSLC16A3ALDH1A1ADRB2
SCHEMBL3563480 0.88 HTR6 (0.46) HTR6KEAP1NFE2L2SLC16A3ALDH1A1
SCHEMBL3561338 0.86 HTR6 (0.62) HTR6KEAP1NFE2L2PFKFB3SLC16A3
SCHEMBL3562342 0.85 HTR6 (0.48) HTR6KEAP1NFE2L2TYMSPFKFB3
SCHEMBL3553027 0.83 MEN1 (0.45) SLC16A3ALDH1A1
SCHEMBL3561772 0.82 ALDH1A1 (0.62) ALDH1A1
SCHEMBL3559525 0.82 SLC16A3 (0.65) PFKFB3SLC16A3
SCHEMBL3556902 0.81 MEN1 (0.51) TYMSPFKFB3SLC16A3THRB
SCHEMBL3552311 0.81 HTR6 (0.44) HTR6KEAP1NFE2L2PFKFB3SLC16A3

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.