SCHEMBL5652129

SCHEMBL5652129

COCCS(=O)(=O)c1ccc(CCO)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.53
CA1 P00915 3/20 0.53
CA12 O43570 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA5A P35218 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
CA5B Q9Y2D0 1/20 0.53
KCNH2 Q12809 3/20 0.49
LOX P28300 1/20 0.47
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
HRH3 Q9Y5N1 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL1128041 0.88 KCNH2 (0.58) CA2CA1CA12CA4CA6
SCHEMBL20300431 0.86 CA2 (0.50) CA2CA1CA12CA4CA6
SCHEMBL5647421 0.83 KCNH2 (0.49) CA2KCNH2LOXHRH3ALDH1A1
SCHEMBL5325324 0.82 CA2 (0.56) CA2CA1CA12CA4CA6
SCHEMBL8521424 0.80 LOX (0.50) CA2CA1CA12CA9KCNH2
SCHEMBL28163819 0.80 CA2 (0.62) CA2CA1CA12CA4CA6
SCHEMBL1938138 0.79 KCNH2 (0.55) KCNH2LOXHRH3ALDH1A1KMT2A
SCHEMBL30026617 0.79 CA2 (0.56) CA2CA1CA12CA4CA6
SCHEMBL20323522 0.79 LOX (0.49) KCNH2LOXHRH3ALDH1A1KMT2A
SCHEMBL10758725 0.79 TDP1 (0.46) CA2CA1CA12CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070049620-A1 Cyclic tertiary amine compound SANKYO COMPANY, LIMITED (JP) 2007-03-01 US disclosed
EP-1632488-A1 CYCLIC TERTIARY AMINE COMPOUND Sankyo Company, Limited (JP) 2006-03-08 EP 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-20070049620-A1 Cyclic tertiary amine compound MYD88, IL5, BRD4 CA2 2422/4885CA1 2446/4885CA12 3926/4885

“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.