SCHEMBL4190644

SCHEMBL4190644

CCN(C1CCCN(S(=O)(=O)c2ccc(OC)c(OC)c2)C1)S(=O)(=O)c1ccc(OC)c(OC)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.66
TSHR P16473 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
HTT P42858 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
GPBAR1 Q8TDU6 1/20 0.57
KMT2A Q03164 2/20 0.56
CYP19A1 P11511 1/20 0.56
MEN1 O00255 1/20 0.56
EP300 Q09472 1/20 0.52
HIF1A Q16665 1/20 0.52
LMNA P02545 3/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
MAPK1 P28482 1/20 0.50
DRD2 P14416 1/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL4180062 0.93 POLB (0.57) POLBTSHRSMN1; SMN2HTTTDP1
SCHEMBL4174455 0.93 POLB (0.57) POLBTSHRSMN1; SMN2HTTTDP1
SCHEMBL4184648 0.93 POLB (0.57) POLBTSHRSMN1; SMN2HTTTDP1
SCHEMBL4181758 0.85 POLB (0.56) POLBTSHRSMN1; SMN2HTTTDP1
SCHEMBL4184653 0.85 POLB (0.56) POLBTSHRSMN1; SMN2GPBAR1KMT2A
SCHEMBL4187969 0.85 POLB (0.56) POLBTSHRSMN1; SMN2GPBAR1KMT2A
SCHEMBL4184190 0.85 POLB (0.56) POLBTSHRSMN1; SMN2GPBAR1KMT2A
SCHEMBL4182155 0.83 POLB (0.62) POLBTSHRGPBAR1KMT2ACYP19A1
SCHEMBL4187616 0.82 POLB (0.52) POLBTSHRSMN1; SMN2GPBAR1KMT2A
SCHEMBL4179427 0.80 POLB (0.57) POLBTSHRSMN1; SMN2GPBAR1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069302-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-03-12 US disclosed
US-20090069302-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-03-12 US disclosed
US-20090069302-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-03-12 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-20090069302-A1 CHEMICAL COMPOUNDS TBXA2R, PDE4D, PDE4A POLB 4819/4885TSHR 576/4885SMN1; SMN2 1624/4885

“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.