SCHEMBL3554391

SCHEMBL3554391

CN(C)c1cccc2c(S(=O)(=O)Nc3ccc(CCc4cccc(C(=O)O)c4)cc3)cccc12

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 7/20 0.57
HDAC1 Q13547 1/20 0.54
SLC16A3 O15427 1/20 0.53
ALOX5 P09917 1/20 0.52
NR3C1 P04150 1/20 0.49
TSHR P16473 1/20 0.48
BRD4 O60885 1/20 0.48

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
SCHEMBL3554242 0.93 SLC16A3 (0.54) EDNRAHDAC1SLC16A3NR3C1BRD4
SCHEMBL3558731 0.92 EDNRA (0.62) EDNRAHDAC1SLC16A3ALOX5TSHR
SCHEMBL3562220 0.90 EDNRA (0.52) EDNRAHDAC1SLC16A3ALOX5NR3C1
SCHEMBL3561717 0.85 SLC16A3 (0.75) EDNRASLC16A3TSHR
SCHEMBL3559548 0.84 SLC16A3 (0.73) HDAC1SLC16A3TSHR
SCHEMBL3558893 0.82 SLC16A3 (0.68) EDNRASLC16A3ALOX5TSHR
SCHEMBL3558188 0.79 SLC16A3 (0.74) EDNRASLC16A3TSHR
SCHEMBL3560143 0.78 PTK2B (0.58) SLC16A3TSHR
SCHEMBL3560607 0.78 EDNRA (0.58) EDNRAHDAC1TSHR
SCHEMBL9137231 0.77 EDNRA (0.77) EDNRAHDAC1TSHR

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 EDNRA 362/4885HDAC1 1894/4885SLC16A3 425/4885

“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.