SCHEMBL3556589

SCHEMBL3556589

O=C(O)Cc1ccccc1OCCOc1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.47
IDH1 O75874 4/20 0.46
SLC22A12 Q96S37 3/20 0.45
MMP2 P08253 2/20 0.44
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44
MMP9 P14780 1/20 0.44
MMP12 P39900 1/20 0.44
MMP13 P45452 1/20 0.44
MMP14 P50281 1/20 0.44
FFAR4 Q5NUL3 1/20 0.43
GSK3B P49841 1/20 0.42
FABP1 P07148 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
SLC40A1 Q9NP59 1/20 0.41
FABP4 P15090 1/20 0.41
FABP5 Q01469 1/20 0.41

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
SCHEMBL3556010 0.90 FFAR4 (0.47) ALPLIDH1SLC22A12FFAR4GSK3B
SCHEMBL3563514 0.88 SLC22A12 (0.50) SLC22A12MMP2MMP1MMP3MMP9
SCHEMBL3557545 0.88 PTGDR2 (0.51) MMP2MMP1MMP3MMP9MMP12
SCHEMBL3554888 0.86 ALDH1A1 (0.53) ALPLIDH1SLC22A12MMP2MMP13
SCHEMBL3558029 0.85 ALPL (0.50) ALPLIDH1SLC22A12GSK3BSLC40A1
SCHEMBL3563411 0.83 AR (0.54) POLB
SCHEMBL3554779 0.82 POLB (0.53) IDH1ALDH1A1POLBFABP4FABP5
SCHEMBL3561911 0.82 SLC22A12 (0.44) SLC22A12MMP2MMP1MMP3MMP9
SCHEMBL3558265 0.82 AR (0.61) IDH1POLB
SCHEMBL3563703 0.82 MEN1 (0.55) MMP2MMP1MMP3MMP9MMP12

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 8 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
EP-1761486-A1 PHENYLCARBOXYLIC ACID DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF DIABETES Merck Patent GmbH (DE) 2007-03-14 EP claimed
WO-2006000288-A1 PHENYLCARBOXYLIC ACID DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2006-01-05 WO 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
EP-1761486-A1 PHENYLCARBOXYLIC ACID DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF DIABETES Merck Patent GmbH (DE) 2007-03-14 EP disclosed
WO-2006000288-A1 PHENYLCARBOXYLIC ACID DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2006-01-05 WO 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 ALPL 3541/4885IDH1 970/4885SLC22A12 1094/4885

“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.