SCHEMBL3556908

SCHEMBL3556908

O=C(O)c1cccc(CCc2ccc(NS(=O)(=O)c3sccc3S(=O)(=O)c3ccccc3)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
AKR1C3 P42330 4/20 0.47
THRB P10828 1/20 0.46
SLC16A3 O15427 4/20 0.44
GFER P55789 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RAB9A P51151 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
PFKFB3 Q16875 1/20 0.42

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
SCHEMBL3554444 0.93 THRB (0.52) MEN1KMT2AAKR1C3THRBSLC16A3
SCHEMBL3557819 0.91 NPSR1 (0.46) MEN1KMT2ASLC16A3NPSR1HDAC4
SCHEMBL3562348 0.90 THRB (0.46) MEN1KMT2AAKR1C3THRBSLC16A3
SCHEMBL3559529 0.86 SLC16A3 (0.62) KMT2AAKR1C3THRBSLC16A3NPSR1
SCHEMBL3557489 0.85 NPSR1 (0.43) MEN1KMT2ASLC16A3NPSR1HDAC4
SCHEMBL3557620 0.83 SLC16A3 (0.56) KMT2AAKR1C3THRBSLC16A3NPSR1
SCHEMBL3552742 0.83 MEN1 (0.63) MEN1KMT2AAKR1C3SLC16A3HDAC4
SCHEMBL3552311 0.82 HTR6 (0.44) THRBSLC16A3NPSR1PFKFB3
SCHEMBL3560665 0.81 MEN1 (0.49) MEN1KMT2AAKR1C3THRBSLC16A3
SCHEMBL3556902 0.81 MEN1 (0.51) MEN1KMT2AAKR1C3THRBSLC16A3

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 MEN1 2548/4885KMT2A 4045/4885AKR1C3 23/4885

“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.