SCHEMBL3553555

SCHEMBL3553555

O=C(O)c1cccc(CCc2cccc(NS(=O)(=O)c3ccccc3)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.67
POLB P06746 2/20 0.64
PFKFB3 Q16875 1/20 0.64
SLC16A3 O15427 2/20 0.61
AKR1C3 P42330 2/20 0.59
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
MAPT P10636 1/20 0.56
KEAP1 Q14145 1/20 0.54
NFE2L2 Q16236 1/20 0.54

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
SCHEMBL3558114 0.93 POLB (0.67) HTR6POLBPFKFB3SLC16A3AKR1C3
SCHEMBL3564982 0.92 POLB (0.74) HTR6POLBPFKFB3SLC16A3AKR1C3
SCHEMBL3552742 0.91 MEN1 (0.63) HTR6POLBPFKFB3SLC16A3AKR1C3
SCHEMBL3555628 0.91 HTR6 (0.65) HTR6POLBPFKFB3SLC16A3AKR1C3
SCHEMBL3562390 0.90 POLB (0.62) HTR6POLBSLC16A3AKR1C3MEN1
SCHEMBL3555622 0.90 SLC16A3 (0.72) HTR6POLBPFKFB3SLC16A3MEN1
SCHEMBL3560463 0.90 POLB (0.62) HTR6POLBSLC16A3AKR1C3MEN1
SCHEMBL3558666 0.89 CA12 (0.61) HTR6POLBPFKFB3SLC16A3MEN1
SCHEMBL3555895 0.89 POLB (0.61) HTR6POLBPFKFB3SLC16A3MEN1
SCHEMBL3561858 0.89 MEN1 (0.65) HTR6POLBPFKFB3SLC16A3AKR1C3

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 HTR6 2387/4885POLB 3962/4885PFKFB3 1209/4885

“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.