SCHEMBL5651424

SCHEMBL5651424

O=S(=O)(NC(CO)CO)c1ccc(CCBr)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
KCNH2 Q12809 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
MMP8 P22894 2/20 0.42
MMP13 P45452 2/20 0.42
MMP14 P50281 2/20 0.42
MMP7 P09237 1/20 0.42
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
GAA P10253 1/20 0.41
NEK1 Q96PY6 4/20 0.40
ADAMTS4 O75173 1/20 0.40
ALDH1A1 P00352 5/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CA12 O43570 1/20 0.39
CA4 P22748 1/20 0.39

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
SCHEMBL5649934 0.80 NPSR1 (0.65) NPSR1MMP2MMP9MMP8MMP13
SCHEMBL12406332 0.76 CA2 (0.58) MMP2MMP9MMP8MMP13MMP14
SCHEMBL8565136 0.76 CA1 (0.51) NPSR1KCNH2HRH3MMP2MMP9
SCHEMBL13189149 0.75 MMP2 (0.55) MMP2MMP9MMP8MMP13CA1
SCHEMBL5646663 0.75 ALDH1A1 (0.57) CA1CA2GAAALDH1A1CYP2C19
SCHEMBL2099221 0.74 KCNH2 (0.53) NPSR1KCNH2HRH3CA2GAA
SCHEMBL2099223 0.74 KCNH2 (0.53) NPSR1KCNH2HRH3CA2GAA
SCHEMBL5648958 0.74 SMN1; SMN2 (0.53) NPSR1CA1CA2GAAALDH1A1
SCHEMBL14132619 0.73 NR3C1 (0.45) NPSR1CA1CA2GAAADAMTS4
SCHEMBL5647966 0.72 KDM4E (0.58) NPSR1KCNH2HRH3GAAALDH1A1

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-20070049620-A1 Cyclic tertiary amine compound SANKYO COMPANY, LIMITED (JP) 2007-03-01 US disclosed
CN-1863793-A Cyclic tertiary amine compound SANKYO CO (JP) 2006-11-15 CN 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 NPSR1 1365/4885KCNH2 1418/4885HRH3 62/4885

“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.