SCHEMBL3556266

SCHEMBL3556266

CCCC(Nc1ccccc1CCc1ccc(C(=O)O)cc1)S(=O)(=O)c1sccc1S(=O)(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 9/20 0.42
NPSR1 Q6W5P4 1/20 0.36
PTGER2 P43116 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
CTSB P07858 1/20 0.32
CTSH P09668 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
CTSC P53634 1/20 0.32
MAPT P10636 1/20 0.32
TAS2R14 Q9NYV8 1/20 0.32
ALDH1A1 P00352 1/20 0.32
METAP2 P50579 1/20 0.32

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
SCHEMBL3560872 0.85 SLC16A3 (0.50) SLC16A3HDAC3HDAC1NCOR2CTSB
SCHEMBL3558201 0.81 SLC16A3 (0.58) SLC16A3NPSR1HDAC3HDAC1NCOR2
SCHEMBL3561601 0.80 SLC16A3 (0.49) SLC16A3HDAC3HDAC1NCOR2CTSB
SCHEMBL3555276 0.78 SLC16A3 (0.47) SLC16A3MAPTALDH1A1
SCHEMBL3557890 0.78 SLC16A3 (0.46) SLC16A3PTGER2
SCHEMBL3560804 0.77 SLC16A3 (0.46) SLC16A3NPSR1MAPTALDH1A1
SCHEMBL3557115 0.76 SLC16A3 (0.48) SLC16A3HDAC3HDAC1NCOR2MAPT
SCHEMBL3553925 0.76 SLC16A3 (0.40) SLC16A3
SCHEMBL3551762 0.75 SLC16A3 (0.53) SLC16A3NPSR1PTGER2HDAC3HDAC1
SCHEMBL3557951 0.75 SLC16A3 (0.48) SLC16A3MAPTALDH1A1

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 425/4885NPSR1 2156/4885PTGER2 405/4885

“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.