SCHEMBL3558893

SCHEMBL3558893

CN(C)c1cccc2c(S(=O)(=O)Nc3ccccc3CCCc3cccc(C(=O)O)c3)cccc12

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 7/20 0.68
BCL2 P10415 1/20 0.51
MCL1 Q07820 1/20 0.51
EDNRA P25101 3/20 0.47
ALOX5 P09917 1/20 0.46
KDM4E B2RXH2 1/20 0.44
NSD2 O96028 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
FABP4 P15090 1/20 0.44

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
SCHEMBL3561717 0.95 SLC16A3 (0.75) SLC16A3BCL2MCL1EDNRAKDM4E
SCHEMBL3560453 0.90 SLC16A3 (0.67) SLC16A3BCL2MCL1EDNRAALOX5
SCHEMBL3560435 0.87 BCL2 (0.52) SLC16A3BCL2MCL1EDNRAKDM4E
SCHEMBL3559309 0.86 SLC16A3 (0.90) SLC16A3MCL1TSHR
SCHEMBL3558188 0.85 SLC16A3 (0.74) SLC16A3BCL2MCL1EDNRAKDM4E
SCHEMBL3554501 0.85 BCL2 (0.52) SLC16A3BCL2MCL1EDNRAKDM4E
SCHEMBL3562929 0.84 SLC16A3 (0.55) SLC16A3BCL2MCL1EDNRAKDM4E
SCHEMBL3554242 0.83 SLC16A3 (0.54) SLC16A3EDNRAFABP4
SCHEMBL3554391 0.82 EDNRA (0.57) SLC16A3EDNRAALOX5TSHR
SCHEMBL3561067 0.81 SLC16A3 (0.67) SLC16A3TSHR

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 425/4885BCL2 1996/4885MCL1 4304/4885

“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.