SCHEMBL3558574

SCHEMBL3558574

CCC(C)(C)c1ccc(S(=O)(=O)Nc2ccccc2OCCOc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 4/20 0.48
CACNA1B Q00975 4/20 0.48
TDP1 Q9NUW8 3/20 0.48
SLC16A3 O15427 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
POLB P06746 2/20 0.45
WDR5 P61964 2/20 0.45
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 2/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
PKM P14618 1/20 0.44
LIMK2 P53671 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RCE1 Q9Y256 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL3561131 0.91 POLB (0.51) CACNA1HCACNA1BTDP1SLC16A3HDAC3
SCHEMBL3554984 0.89 PKM (0.56) CACNA1HCACNA1BTDP1SLC16A3HDAC3
SCHEMBL3558860 0.88 WDR5 (0.57) CACNA1HCACNA1BTDP1SLC16A3POLB
SCHEMBL3559755 0.87 CACNA1H (0.61) CACNA1HCACNA1BTDP1SLC16A3HDAC3
SCHEMBL3554494 0.86 PKM (0.56) CACNA1HCACNA1BTDP1SLC16A3HDAC3
SCHEMBL3558807 0.86 TDP1 (0.56) CACNA1HCACNA1BTDP1SLC16A3HDAC3
SCHEMBL3552318 0.86 GFER (0.56) CACNA1HCACNA1BTDP1SLC16A3HDAC3
SCHEMBL3559157 0.86 GFER (0.56) TDP1HDAC3POLBWDR5LMNA
SCHEMBL3562888 0.86 SLC16A3 (0.64) CACNA1HCACNA1BTDP1SLC16A3HDAC3
SCHEMBL3565335 0.86 CACNA1H (0.53) CACNA1HCACNA1BTDP1SLC16A3HDAC3

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 CACNA1H 2058/4885CACNA1B 1921/4885TDP1 2267/4885

“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.