SCHEMBL3558860

SCHEMBL3558860

CCCCOc1ccc(S(=O)(=O)Nc2ccccc2OCCOc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 3/20 0.57
CACNA1H O95180 3/20 0.56
CACNA1B Q00975 3/20 0.56
TSHR P16473 2/20 0.53
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HTT P42858 1/20 0.53
SLC16A3 O15427 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
TP53 P04637 1/20 0.52
PLA2G4B P0C869 2/20 0.51
RARB P10826 1/20 0.50
PKM P14618 1/20 0.50
POLB P06746 1/20 0.50
S1PR3 Q99500 1/20 0.49
KAT6A Q92794 1/20 0.49

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
SCHEMBL3554984 0.94 PKM (0.56) WDR5CACNA1HCACNA1BLMNAHTT
SCHEMBL3561187 0.94 TDP1 (0.57) WDR5CACNA1HCACNA1BTSHRLMNA
SCHEMBL3554494 0.92 PKM (0.56) CACNA1HCACNA1BTSHRLMNASMN1; SMN2
SCHEMBL3556211 0.92 TDP1 (0.59) WDR5CACNA1HCACNA1BLMNAHTT
SCHEMBL3558807 0.91 TDP1 (0.56) WDR5CACNA1HCACNA1BLMNAHTT
SCHEMBL3552318 0.91 GFER (0.56) WDR5CACNA1HCACNA1BTSHRLMNA
SCHEMBL3562888 0.91 SLC16A3 (0.64) CACNA1HCACNA1BTSHRLMNASMN1; SMN2
SCHEMBL3565335 0.91 CACNA1H (0.53) WDR5CACNA1HCACNA1BTSHRLMNA
SCHEMBL3563406 0.90 CACNA1H (0.52) CACNA1HCACNA1BHTTSLC16A3TDP1
SCHEMBL3561665 0.90 CACNA1H (0.58) CACNA1HCACNA1BSLC16A3TDP1PKM

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 WDR5 1795/4885CACNA1H 2058/4885CACNA1B 1921/4885

“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.