SCHEMBL3558807

SCHEMBL3558807

CCc1ccc(S(=O)(=O)Nc2ccccc2OCCOc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.56
CACNA1H O95180 2/20 0.52
CACNA1B Q00975 2/20 0.52
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
NCOR2 Q9Y618 1/20 0.52
SLC16A3 O15427 2/20 0.51
KDM4E B2RXH2 2/20 0.50
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
LIMK2 P53671 3/20 0.49
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
METAP2 P50579 1/20 0.48
POLB P06746 1/20 0.48
PKM P14618 1/20 0.48
WDR5 P61964 2/20 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
SCHEMBL3554984 0.92 PKM (0.56) TDP1CACNA1HCACNA1BHDAC3HDAC1
SCHEMBL3556211 0.92 TDP1 (0.59) TDP1CACNA1HCACNA1BHDAC3HDAC1
SCHEMBL3558860 0.91 WDR5 (0.57) TDP1CACNA1HCACNA1BSLC16A3LMNA
SCHEMBL3554494 0.90 PKM (0.56) TDP1CACNA1HCACNA1BHDAC3HDAC1
SCHEMBL3561187 0.90 TDP1 (0.57) TDP1CACNA1HCACNA1BHDAC3HDAC1
SCHEMBL3562888 0.89 SLC16A3 (0.64) TDP1CACNA1HCACNA1BHDAC3HDAC1
SCHEMBL3552318 0.89 GFER (0.56) TDP1CACNA1HCACNA1BHDAC3HDAC1
SCHEMBL3565335 0.89 CACNA1H (0.53) TDP1CACNA1HCACNA1BHDAC3HDAC1
SCHEMBL3561665 0.88 CACNA1H (0.58) TDP1CACNA1HCACNA1BHDAC3HDAC1
SCHEMBL3563406 0.88 CACNA1H (0.52) TDP1CACNA1HCACNA1BHDAC3HDAC1

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 TDP1 2267/4885CACNA1H 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.