SCHEMBL3554439

SCHEMBL3554439

O=C(O)c1cccc(CCc2cccc(NS(=O)(=O)c3ccc(S(=O)(=O)c4ccccc4)s3)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 5/20 0.53
THRB P10828 1/20 0.49
HTR6 P50406 5/20 0.49
AKR1C3 P42330 2/20 0.47
POLB P06746 1/20 0.47
SLC16A3 O15427 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TYMS P04818 1/20 0.46

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
SCHEMBL3562342 0.93 HTR6 (0.48) PFKFB3THRBHTR6AKR1C3SLC16A3
SCHEMBL3556902 0.93 MEN1 (0.51) PFKFB3THRBAKR1C3SLC16A3MEN1
SCHEMBL3552308 0.89 HTR6 (0.46) PFKFB3THRBHTR6SLC16A3TYMS
SCHEMBL3556918 0.87 HTR6 (0.48) PFKFB3THRBHTR6AKR1C3POLB
SCHEMBL3559525 0.86 SLC16A3 (0.65) PFKFB3AKR1C3POLBSLC16A3MEN1
SCHEMBL3553555 0.85 HTR6 (0.67) PFKFB3HTR6AKR1C3POLBSLC16A3
SCHEMBL3557616 0.83 SLC16A3 (0.57) PFKFB3AKR1C3POLBSLC16A3MEN1
SCHEMBL3557815 0.82 HDAC1 (0.48) HTR6POLBSLC16A3MEN1KMT2A
SCHEMBL3554444 0.80 THRB (0.52) PFKFB3THRBHTR6AKR1C3POLB
SCHEMBL3560665 0.80 MEN1 (0.49) PFKFB3THRBAKR1C3SLC16A3MEN1

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 PFKFB3 1209/4885THRB 1604/4885HTR6 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.