SCHEMBL3552840

SCHEMBL3552840

O=C(O)c1ccccc1CCCc1ccccc1NS(=O)(=O)c1sccc1S(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.43
SLC16A3 O15427 11/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP3A4 P08684 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL3557742 0.97 SLC16A3 (0.45) NPSR1SLC16A3MEN1KMT2AHSD17B10
SCHEMBL3553033 0.96 NPSR1 (0.45) NPSR1SLC16A3MEN1KMT2AHSD17B10
SCHEMBL3551762 0.87 SLC16A3 (0.53) NPSR1SLC16A3MEN1KMT2AHSD17B10
SCHEMBL3557620 0.86 SLC16A3 (0.56) NPSR1SLC16A3KMT2A
SCHEMBL3558201 0.82 SLC16A3 (0.58) NPSR1SLC16A3MEN1KMT2AHSD17B10
SCHEMBL3557489 0.82 NPSR1 (0.43) NPSR1SLC16A3MEN1KMT2ACYP3A4
SCHEMBL3559529 0.82 SLC16A3 (0.62) NPSR1SLC16A3KMT2A
SCHEMBL3554581 0.82 KDM4E (0.54) SLC16A3MEN1KMT2AALDH1A1
SCHEMBL3552311 0.80 HTR6 (0.44) NPSR1SLC16A3ALDH1A1
SCHEMBL3555657 0.80 MEN1 (0.44) SLC16A3MEN1KMT2AALDH1A1

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 NPSR1 2156/4885SLC16A3 425/4885MEN1 2548/4885

“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.