SCHEMBL8266352

SCHEMBL8266352

CS(=O)(=O)c1ccc(-c2nc3ccccc3n2CCCCCB(O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.47
DRD3 P35462 2/20 0.47
TP53 P04637 2/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
PIN1 Q13526 4/20 0.45
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 3/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HTT P42858 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.43
F11 P03951 5/20 0.42

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
SCHEMBL13668158 0.85 HPGD (0.56) DRD2DRD3TP53PIN1GAA
SCHEMBL13668139 0.84 HPGD (0.57) DRD2DRD3TP53PIN1GAA
SCHEMBL13668125 0.83 DRD2 (0.48) DRD2DRD3TP53PIN1GAA
SCHEMBL4175499 0.82 KDM4E (0.67) DRD2DRD3TP53PIN1GAA
SCHEMBL13668124 0.82 MEN1 (0.51) DRD2DRD3TP53GAASMN1; SMN2
SCHEMBL13668127 0.81 KDM4E (0.68) DRD2DRD3TP53GAASMN1; SMN2
SCHEMBL13668121 0.80 MEN1 (0.52) DRD2DRD3TP53GAASMN1; SMN2
SCHEMBL13668123 0.79 MAPT (0.54) DRD2DRD3TP53GAASMN1; SMN2
SCHEMBL8268629 0.77 DRD2 (0.51) DRD2DRD3TP53PIN1GAA
SCHEMBL8266132 0.77 TP53 (0.74) DRD2DRD3TP53GAASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264384-A1 INDOLE, BENZIMIDAZOLE, AND BENZOLACTAM BORONIC ACID COMPOUNDS, ANALOGS THEREOF AND METHODS OF USE THEREOF NUADA, INC. (US) 2009-10-22 US disclosed
US-20090264384-A1 INDOLE, BENZIMIDAZOLE, AND BENZOLACTAM BORONIC ACID COMPOUNDS, ANALOGS THEREOF AND METHODS OF USE THEREOF NUADA, INC. (US) 2009-10-22 US disclosed
US-20090005344-A1 Compounds and Methods of Use Thereof NKUADA, LLC (US) 2009-01-01 US disclosed
US-20090005344-A1 Compounds and Methods of Use Thereof NKUADA, LLC (US) 2009-01-01 US disclosed
WO-2006050053-A2 COMPOUNDS AND METHODS OF USE THEREOF NUADA, LLC (US) 2006-05-11 WO 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 (2 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-20090005344-A1 Compounds and Methods of Use Thereof TNF, IL1B, TNFRSF1A DRD2 4662/4885DRD3 4690/4885TP53 441/4885
US-20090264384-A1 INDOLE, BENZIMIDAZOLE, AND BENZOLACTAM BORONIC ACID COMPOUNDS, ANALOGS THEREOF AND METHODS OF USE THEREOF TNF, NFKBIA, IL6 DRD2 3552/4885DRD3 4233/4885TP53 327/4885

“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.