SCHEMBL3556078

SCHEMBL3556078

Cc1c(S(=O)(=O)Nc2ccccc2CCc2cccc(C(=O)O)c2)sc2ccc(Cl)cc12

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 8/20 0.67
PFKFB4 Q16877 7/20 0.67
SLC16A3 O15427 6/20 0.64
CMA1 P23946 3/20 0.51
HTR6 P50406 1/20 0.50

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
SCHEMBL3552003 0.91 PFKFB4 (0.61) PFKFB3PFKFB4SLC16A3CMA1HTR6
SCHEMBL3555875 0.88 PFKFB3 (0.83) PFKFB3PFKFB4CMA1
SCHEMBL3553890 0.88 PFKFB4 (0.72) PFKFB3PFKFB4SLC16A3CMA1HTR6
SCHEMBL3553777 0.86 PFKFB3 (0.77) PFKFB3PFKFB4CMA1HTR6
SCHEMBL3559705 0.85 PFKFB3 (0.68) PFKFB3PFKFB4CMA1HTR6
SCHEMBL3562877 0.85 PFKFB4 (0.70) PFKFB3PFKFB4CMA1HTR6
SCHEMBL3884692 0.81 PFKFB3 (0.71) PFKFB3PFKFB4CMA1HTR6
SCHEMBL788108 0.81 PFKFB4 (1.00) PFKFB3PFKFB4CMA1
SCHEMBL3559885 0.80 PFKFB3 (0.65) PFKFB3PFKFB4CMA1HTR6
Propane SCHEMBL28642185 0.80 PFKFB4 (0.94) PFKFB3PFKFB4CMA1

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 1018/4885SLC16A3 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.