SCHEMBL3554242

SCHEMBL3554242

CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(CCc4cccc(C(=O)O)c4)c3)cccc12

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.54
EDNRA P25101 5/20 0.53
FABP4 P15090 3/20 0.53
WDR5 P61964 1/20 0.53
FABP5 Q01469 1/20 0.53
HDAC1 Q13547 1/20 0.50
NR3C1 P04150 1/20 0.49
HSPA5 P11021 1/20 0.49
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
SCHEMBL3554391 0.93 EDNRA (0.57) SLC16A3EDNRAHDAC1NR3C1BRD4
SCHEMBL3562220 0.93 EDNRA (0.52) SLC16A3EDNRAFABP4HDAC1NR3C1
SCHEMBL3561717 0.86 SLC16A3 (0.75) SLC16A3EDNRAFABP4
SCHEMBL3558731 0.84 EDNRA (0.62) SLC16A3EDNRAFABP4HDAC1
SCHEMBL3561271 0.84 SLC16A3 (0.74) SLC16A3FABP4WDR5FABP5
SCHEMBL3558893 0.83 SLC16A3 (0.68) SLC16A3EDNRAFABP4
SCHEMBL3560333 0.78 PTK2B (0.60) SLC16A3FABP4WDR5FABP5
SCHEMBL6243926 0.78 POLB (0.57) EDNRAHDAC1
SCHEMBL9137231 0.78 EDNRA (0.77) EDNRAHDAC1
SCHEMBL3558846 0.76 TSHR (0.70) SLC16A3FABP4WDR5FABP5HDAC1

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 425/4885EDNRA 362/4885FABP4 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.