SCHEMBL3554444

SCHEMBL3554444

O=C(O)c1cccc(CCc2cccc(NS(=O)(=O)c3sccc3S(=O)(=O)c3ccccc3)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.52
PFKFB3 Q16875 1/20 0.47
HTR6 P50406 5/20 0.46
AKR1C3 P42330 2/20 0.45
SLC16A3 O15427 4/20 0.45
POLB P06746 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL3556908 0.93 MEN1 (0.48) THRBPFKFB3AKR1C3SLC16A3MEN1
SCHEMBL3562348 0.93 THRB (0.46) THRBPFKFB3HTR6AKR1C3SLC16A3
SCHEMBL3552311 0.89 HTR6 (0.44) THRBPFKFB3HTR6SLC16A3NPSR1
SCHEMBL3559529 0.87 SLC16A3 (0.62) THRBAKR1C3SLC16A3KMT2ANPSR1
SCHEMBL3557620 0.84 SLC16A3 (0.56) THRBAKR1C3SLC16A3KMT2ANPSR1
SCHEMBL3557819 0.83 NPSR1 (0.46) HTR6SLC16A3POLBMEN1KMT2A
SCHEMBL3553555 0.82 HTR6 (0.67) PFKFB3HTR6AKR1C3SLC16A3POLB
SCHEMBL3556918 0.80 HTR6 (0.48) THRBPFKFB3HTR6AKR1C3SLC16A3
SCHEMBL3554439 0.80 PFKFB3 (0.53) THRBPFKFB3HTR6AKR1C3SLC16A3
SCHEMBL3557489 0.78 NPSR1 (0.43) HTR6SLC16A3MEN1KMT2ANPSR1

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 THRB 1604/4885PFKFB3 1209/4885HTR6 2387/4885

“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.