SCHEMBL3563406

SCHEMBL3563406

O=C(O)c1ccc(OCCOc2ccccc2NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 3/20 0.52
CACNA1B Q00975 3/20 0.52
PKM P14618 1/20 0.51
SLC16A3 O15427 2/20 0.51
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
RECQL P46063 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
FABP1 P07148 1/20 0.48
POLB P06746 1/20 0.48
MCL1 Q07820 3/20 0.47
BCL2L1 Q07817 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
NCOR2 Q9Y618 1/20 0.47

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 0.95 PKM (0.56) CACNA1HCACNA1BPKMSLC16A3GAA
SCHEMBL3554494 0.93 PKM (0.56) CACNA1HCACNA1BPKMSLC16A3MEN1
SCHEMBL3561665 0.91 CACNA1H (0.58) CACNA1HCACNA1BPKMSLC16A3MEN1
SCHEMBL3565335 0.90 CACNA1H (0.53) CACNA1HCACNA1BPKMSLC16A3MEN1
SCHEMBL3558860 0.90 WDR5 (0.57) CACNA1HCACNA1BPKMSLC16A3HTT
SCHEMBL3562888 0.90 SLC16A3 (0.64) CACNA1HCACNA1BPKMSLC16A3MAPT
SCHEMBL3559188 0.90 CCR2 (0.58) CACNA1HCACNA1BPKMSLC16A3TDP1
SCHEMBL3552318 0.90 GFER (0.56) CACNA1HCACNA1BPKMSLC16A3GAA
SCHEMBL3558807 0.88 TDP1 (0.56) CACNA1HCACNA1BPKMSLC16A3GAA
SCHEMBL3559755 0.87 CACNA1H (0.61) CACNA1HCACNA1BPKMSLC16A3MEN1

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 1921/4885PKM 990/4885

“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.