SCHEMBL3556854

SCHEMBL3556854

O=C(O)c1cccc(CCc2cccc(NS(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
POLB P06746 2/20 0.52
AKR1C3 P42330 1/20 0.52
AKR1C2 P52895 1/20 0.52
GAA P10253 1/20 0.52
SLC16A3 O15427 2/20 0.51
IDH1 O75874 2/20 0.50
PPARG P37231 1/20 0.49
PFKFB3 Q16875 1/20 0.49
HTR6 P50406 1/20 0.48
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
SERPINE1 P05121 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CASP6 P55212 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL3564979 0.92 SERPINE1 (0.51) MAPTPOLBAKR1C3AKR1C2GAA
SCHEMBL3553439 0.92 GAA (0.62) MAPTPOLBGAAIDH1PFKFB3
SCHEMBL3565016 0.92 MAPT (0.54) MAPTPOLBAKR1C3AKR1C2GAA
SCHEMBL3562289 0.91 MAPT (0.61) MAPTPOLBGAASLC16A3IDH1
SCHEMBL3561240 0.87 KMT2A (0.51) MAPTGAASLC16A3IDH1PPARG
SCHEMBL3560831 0.85 SLC16A3 (0.72) POLBAKR1C3GAASLC16A3MEN1
SCHEMBL3555136 0.84 MAPT (0.59) MAPTGAAIDH1MEN1KMT2A
SCHEMBL3557078 0.84 NR3C1 (0.56) MAPTAKR1C3GAASLC16A3IDH1
SCHEMBL3553555 0.84 HTR6 (0.67) MAPTPOLBAKR1C3SLC16A3PFKFB3
SCHEMBL3554311 0.83 SLC16A3 (0.55) MAPTPOLBSLC16A3IDH1MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPT 4130/4885POLB 3962/4885AKR1C3 23/4885

“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.