SCHEMBL3562220

SCHEMBL3562220

CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(CCc4ccc(C(=O)O)cc4)c3)cccc12

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 6/20 0.52
SLC16A3 O15427 1/20 0.50
FABP4 P15090 1/20 0.50
HDAC1 Q13547 1/20 0.49
NR3C1 P04150 1/20 0.49
HSPA5 P11021 1/20 0.49
TSHR P16473 1/20 0.48
ALOX5 P09917 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) EDNRASLC16A3FABP4HDAC1NR3C1
SCHEMBL3558731 0.92 EDNRA (0.62) EDNRASLC16A3FABP4HDAC1TSHR
SCHEMBL3554391 0.90 EDNRA (0.57) EDNRASLC16A3HDAC1NR3C1TSHR
SCHEMBL3558846 0.84 TSHR (0.70) SLC16A3FABP4HDAC1TSHR
SCHEMBL3558188 0.83 SLC16A3 (0.74) EDNRASLC16A3TSHR
SCHEMBL3560453 0.80 SLC16A3 (0.67) EDNRASLC16A3TSHRALOX5
SCHEMBL3561717 0.79 SLC16A3 (0.75) EDNRASLC16A3FABP4TSHR
SCHEMBL3563292 0.78 PTK2B (0.58) SLC16A3FABP4TSHR
SCHEMBL3560607 0.78 EDNRA (0.58) EDNRAFABP4HDAC1TSHR
SCHEMBL3555871 0.78 POLB (0.60) SLC16A3

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 362/4885SLC16A3 425/4885FABP4 251/4885

“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.