SCHEMBL3561187

SCHEMBL3561187

CCCCc1ccc(S(=O)(=O)Nc2ccccc2OCCOc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.57
METAP2 P50579 1/20 0.52
WDR5 P61964 3/20 0.52
CACNA1H O95180 2/20 0.51
CACNA1B Q00975 2/20 0.51
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
SLC16A3 O15427 2/20 0.48
MCL1 Q07820 1/20 0.48
BCL2A1 Q16548 1/20 0.48
TSHR P16473 2/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 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
SCHEMBL3556211 0.94 TDP1 (0.59) TDP1METAP2WDR5CACNA1HCACNA1B
SCHEMBL3558860 0.94 WDR5 (0.57) TDP1WDR5CACNA1HCACNA1BSLC16A3
SCHEMBL3558807 0.90 TDP1 (0.56) TDP1METAP2WDR5CACNA1HCACNA1B
SCHEMBL3554984 0.89 PKM (0.56) TDP1WDR5CACNA1HCACNA1BHDAC3
SCHEMBL3564970 0.87 SLC16A3 (0.59) TDP1METAP2WDR5HDAC3HDAC1
SCHEMBL3554494 0.86 PKM (0.56) TDP1CACNA1HCACNA1BHDAC3HDAC1
SCHEMBL3555822 0.86 SLC16A3 (0.66) TDP1METAP2WDR5HDAC3HDAC1
SCHEMBL3562888 0.86 SLC16A3 (0.64) TDP1CACNA1HCACNA1BHDAC3HDAC1
SCHEMBL3552318 0.86 GFER (0.56) TDP1WDR5CACNA1HCACNA1BHDAC3
SCHEMBL3551452 0.86 SMN1; SMN2 (0.63) TDP1WDR5TSHRLMNASMN1; SMN2

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 2267/4885METAP2 2438/4885WDR5 1795/4885

“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.