SCHEMBL16232128

SCHEMBL16232128

CC[C@@H](N)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.50
ENPP2 Q13822 2/20 0.43
GRM4 Q14833 1/20 0.42
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGS2 P35354 2/20 0.38
LOX P28300 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
EPHX1 P07099 1/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL16225231 1.00 SLC6A4 (0.50) SLC6A4ENPP2GRM4LMNATSHR
SCHEMBL16232127 1.00 SLC6A4 (0.50) SLC6A4ENPP2GRM4LMNATSHR
Hydrochloric Acid SCHEMBL1186552 0.98 SLC6A4 (0.48) SLC6A4ENPP2GRM4LMNATSHR
SCHEMBL16232125 0.84 GAA (0.53) SLC6A4CYP3A4
SCHEMBL13859430 0.84 GAA (0.53) SLC6A4CYP3A4
SCHEMBL11833604 0.84 CA2 (0.53) SLC6A4TSHR
SCHEMBL16232126 0.84 GAA (0.53) SLC6A4CYP3A4
SCHEMBL19183290 0.82 GRM4 (0.48) ENPP2GRM4LMNATSHRMEN1
SCHEMBL17688572 0.82 GRM4 (0.48) ENPP2GRM4LMNATSHRMEN1
SCHEMBL15670636 0.82 GRM4 (0.48) ENPP2GRM4LMNATSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9914702-B2 Amine derivatives as potassium channel blockers BIONOMICS LIMITED (AU) 2018-03-13 US disclosed
US-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS BIONOMICS, LTD (AU) 2017-03-30 US disclosed
US-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS BIONOMICS, LTD (AU) 2017-03-30 US disclosed
US-9493451-B2 Amine derivatives as potassium channel blockers BIONOMICS LIMITED (AU) 2016-11-15 US disclosed
US-9493451-B2 Amine derivatives as potassium channel blockers BIONOMICS LIMITED (AU) 2016-11-15 US disclosed
US-20150299184-A1 Amine Derivatives as Potassium Channel Blockers BIONOMICS LIMITED (AU) 2015-10-22 US disclosed
US-20150299184-A1 Amine Derivatives as Potassium Channel Blockers BIONOMICS LIMITED (AU) 2015-10-22 US disclosed
US-20140336198-A1 Amine Derivatives as Potassium Channel Blockers MERCK PATENT GMBH (DE) 2014-11-13 US disclosed
US-20140336198-A1 Amine Derivatives as Potassium Channel Blockers MERCK PATENT GMBH (DE) 2014-11-13 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 (3 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-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS KCNA3, KCNH3, KCNK3 SLC6A4 762/4885ENPP2 743/4885GRM4 970/4885
US-20140336198-A1 Amine Derivatives as Potassium Channel Blockers KCNA3, KCNH3, KCNK3 SLC6A4 762/4885ENPP2 743/4885GRM4 970/4885
US-20150299184-A1 Amine Derivatives as Potassium Channel Blockers KCNA3, KCNH3, KCNK3 SLC6A4 762/4885ENPP2 743/4885GRM4 970/4885

“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.