SCHEMBL3558666

SCHEMBL3558666

CC(=O)c1ccc(S(=O)(=O)Nc2cccc(CCc3cccc(C(=O)O)c3)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.61
CA9 Q16790 1/20 0.61
POLB P06746 3/20 0.61
SLC16A3 O15427 2/20 0.55
HTR6 P50406 4/20 0.54
CYP19A1 P11511 1/20 0.53
PFKFB3 Q16875 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 2/20 0.51
ALDH1A1 P00352 1/20 0.51
NSD2 O96028 1/20 0.51
DUSP3 P51452 1/20 0.51
PTPN5 P54829 1/20 0.51
PTPN11 Q06124 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
PHGDH O43175 1/20 0.51
HPGD P15428 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
SCHEMBL3553771 0.93 CA12 (0.61) CA12CA9POLBHTR6CYP19A1
SCHEMBL3558114 0.93 POLB (0.67) CA12CA9POLBSLC16A3HTR6
SCHEMBL3554909 0.92 CA12 (0.60) CA12CA9POLBSLC16A3CYP19A1
SCHEMBL3562390 0.89 POLB (0.62) CA12CA9POLBSLC16A3HTR6
SCHEMBL3553555 0.89 HTR6 (0.67) POLBSLC16A3HTR6PFKFB3MEN1
SCHEMBL3555189 0.88 LMNA (0.61) POLBSLC16A3HTR6PFKFB3MEN1
SCHEMBL3555895 0.88 POLB (0.61) POLBSLC16A3HTR6PFKFB3MEN1
SCHEMBL3555114 0.88 CA12 (0.58) CA12CA9POLBSLC16A3HTR6
SCHEMBL3555622 0.87 SLC16A3 (0.72) POLBSLC16A3HTR6PFKFB3MEN1
SCHEMBL3564982 0.87 POLB (0.74) CA9POLBSLC16A3HTR6PFKFB3

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 CA12 2189/4885CA9 1020/4885POLB 3962/4885

“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.