SCHEMBL3553439

SCHEMBL3553439

O=C(O)c1cccc(CCc2cccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.62
MAPT P10636 3/20 0.57
MEN1 O00255 7/20 0.56
KMT2A Q03164 7/20 0.56
ALDH1A1 P00352 1/20 0.54
IDH1 O75874 1/20 0.54
PFKFB3 Q16875 1/20 0.54
CASP6 P55212 1/20 0.53
HSD17B2 P37059 1/20 0.53
TSHR P16473 1/20 0.52
POLB P06746 1/20 0.51
NR3C1 P04150 1/20 0.51
PGR P06401 1/20 0.51
AR P10275 1/20 0.51
ESR2 Q92731 1/20 0.51
SERPINE1 P05121 1/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
PKLR P30613 1/20 0.51
LMNA P02545 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
SCHEMBL3557078 0.92 NR3C1 (0.56) GAAMAPTMEN1KMT2AIDH1
SCHEMBL3555136 0.92 MAPT (0.59) GAAMAPTMEN1KMT2AALDH1A1
SCHEMBL3556854 0.92 MAPT (0.53) GAAMAPTMEN1KMT2AALDH1A1
SCHEMBL3562289 0.90 MAPT (0.61) GAAMAPTMEN1KMT2AIDH1
SCHEMBL22633492 0.90 GAA (0.68) GAAMAPTMEN1KMT2AALDH1A1
SCHEMBL3553555 0.86 HTR6 (0.67) MAPTMEN1KMT2APFKFB3POLB
SCHEMBL3553475 0.85 SLC16A3 (0.71) GAAMEN1KMT2ATSHRPOLB
SCHEMBL3556551 0.85 THRB (0.65) MAPTMEN1KMT2AALDH1A1PFKFB3
SCHEMBL3564979 0.84 SERPINE1 (0.51) GAAMAPTMEN1KMT2AIDH1
SCHEMBL3565016 0.84 MAPT (0.54) GAAMAPTMEN1KMT2AIDH1

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 GAA 1191/4885MAPT 4130/4885MEN1 2548/4885

“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.