SCHEMBL3562877

SCHEMBL3562877

Cc1c(S(=O)(=O)Nc2ccccc2CCCc2ccccc2C(=O)O)sc2ccc(Cl)cc12

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PFKFB4 Q16877 7/20 0.70
PFKFB3 Q16875 7/20 0.60
CMA1 P23946 7/20 0.52
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HTR6 P50406 2/20 0.50
KEAP1 Q14145 1/20 0.49

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
SCHEMBL3553890 0.96 PFKFB4 (0.72) PFKFB4PFKFB3CMA1NPSR1L3MBTL1
SCHEMBL3556078 0.85 PFKFB3 (0.67) PFKFB4PFKFB3CMA1HTR6
SCHEMBL3559885 0.84 PFKFB3 (0.65) PFKFB4PFKFB3CMA1NPSR1L3MBTL1
SCHEMBL3552003 0.84 PFKFB4 (0.61) PFKFB4PFKFB3CMA1NPSR1L3MBTL1
SCHEMBL3559705 0.84 PFKFB3 (0.68) PFKFB4PFKFB3CMA1NPSR1L3MBTL1
SCHEMBL788372 0.82 PFKFB4 (1.00) PFKFB4PFKFB3CMA1NPSR1L3MBTL1
SCHEMBL28642165 0.81 PFKFB4 (0.69) PFKFB4PFKFB3CMA1NPSR1L3MBTL1
SCHEMBL5621524 0.79 PFKFB3 (0.70) PFKFB4PFKFB3CMA1NPSR1L3MBTL1
SCHEMBL3562148 0.78 SLC16A3 (0.70)
SCHEMBL27685 0.77 PFKFB4 (0.66) PFKFB4PFKFB3CMA1NPSR1L3MBTL1

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 PFKFB4 1018/4885PFKFB3 1209/4885CMA1 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.