SCHEMBL3555875

SCHEMBL3555875

Cc1c(S(=O)(=O)Nc2cccc(CCc3cccc(C(=O)O)c3)c2)sc2ccc(Cl)cc12

nearest known ligand 0.83

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 12/20 0.83
PFKFB4 Q16877 11/20 0.83
CMA1 P23946 3/20 0.59
NPSR1 Q6W5P4 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58

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
SCHEMBL3553777 0.94 PFKFB3 (0.77) PFKFB3PFKFB4CMA1NPSR1L3MBTL1
SCHEMBL788108 0.91 PFKFB4 (1.00) PFKFB3PFKFB4CMA1NPSR1L3MBTL1
Propane SCHEMBL28642185 0.90 PFKFB4 (0.94) PFKFB3PFKFB4CMA1NPSR1L3MBTL1
SCHEMBL3559705 0.89 PFKFB3 (0.68) PFKFB3PFKFB4CMA1NPSR1L3MBTL1
SCHEMBL3556078 0.88 PFKFB3 (0.67) PFKFB3PFKFB4CMA1
SCHEMBL3884692 0.85 PFKFB3 (0.71) PFKFB3PFKFB4CMA1NPSR1L3MBTL1
SCHEMBL5621758 0.82 PFKFB3 (0.80) PFKFB3PFKFB4CMA1NPSR1L3MBTL1
SCHEMBL788469 0.82 PFKFB3 (0.77) PFKFB3PFKFB4CMA1NPSR1L3MBTL1
SCHEMBL787869 0.81 PFKFB3 (1.00) PFKFB3PFKFB4CMA1NPSR1L3MBTL1
SCHEMBL788429 0.80 PFKFB3 (0.87) PFKFB3PFKFB4CMA1NPSR1L3MBTL1

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 PFKFB3 1209/4885PFKFB4 1018/4885CMA1 813/4885

“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.