SCHEMBL3552787

SCHEMBL3552787

O=C(O)c1cccc(CCc2cccc(NS(=O)(=O)c3ccc4ccccc4c3)c2)c1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 6/20 0.74
AKR1C3 P42330 1/20 0.72
SMN1; SMN2 Q16637 3/20 0.64
HTT P42858 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
POLB P06746 2/20 0.56
MRGPRX4 Q96LA9 1/20 0.56
PFKFB3 Q16875 1/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 1/20 0.56
LMNA P02545 2/20 0.53
GAA P10253 1/20 0.53
GGPS1 O95749 1/20 0.53

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
SCHEMBL3554320 0.92 SLC16A3 (0.73) SLC16A3AKR1C3SMN1; SMN2HTTNPSR1
SCHEMBL3563076 0.92 SLC16A3 (0.69) SLC16A3AKR1C3SMN1; SMN2HTTNPSR1
SCHEMBL7311403 0.89 AKR1C3 (0.85) SLC16A3AKR1C3SMN1; SMN2POLBPFKFB3
SCHEMBL3553555 0.88 HTR6 (0.67) SLC16A3AKR1C3POLBPFKFB3MEN1
SCHEMBL3557572 0.88 SLC16A3 (0.67) SLC16A3AKR1C3SMN1; SMN2HTTNPSR1
SCHEMBL3558114 0.87 POLB (0.67) SLC16A3AKR1C3POLBPFKFB3MEN1
SCHEMBL3564982 0.86 POLB (0.74) SLC16A3AKR1C3POLBPFKFB3MEN1
SCHEMBL3556736 0.85 SLC16A3 (1.00) SLC16A3AKR1C3MRGPRX4KMT2A
SCHEMBL3562390 0.83 POLB (0.62) SLC16A3AKR1C3POLBMEN1KMT2A
SCHEMBL3555622 0.83 SLC16A3 (0.72) SLC16A3POLBPFKFB3MEN1KMT2A

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 SLC16A3 425/4885AKR1C3 23/4885SMN1; SMN2 4522/4885

“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.