SCHEMBL18685281

SCHEMBL18685281

C[C@@H](N)c1ccc(S(=O)(=O)CC2CCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AOC2 O75106 2/20 0.38
▸ GLP1R P43220 1/20 0.38
▸ MMP2 P08253 3/20 0.37
▸ MMP9 P14780 2/20 0.37
▸ MMP14 P50281 2/20 0.37
▸ MMP3 P08254 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ ADRB2 P07550 1/20 0.36
▸ CNR2 P34972 2/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ MAOA P21397 2/20 0.35
▸ MAOB P27338 2/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ MCOLN3 Q8TDD5 1/20 0.35
▸ CRBN Q96SW2 1/20 0.35
▸ CA2 P00918 1/20 0.35

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
SCHEMBL18685345 0.81 METAP2 (0.36) MMP2MMP3ADRB2CNR2CNR1
SCHEMBL11951548 0.80 GLP1R (0.49) GLP1RMMP2MMP9MMP14MMP3
SCHEMBL18461189 0.78 GAA (0.52) MMP2MMP9MMP14MMP3CA2
SCHEMBL6822328 0.78 CRBN (0.53) TP53MCOLN3CRBNCA2
SCHEMBL16232116 0.77 GAA (0.55) ADRB2CNR1CA2
SCHEMBL18440551 0.77 GAA (0.55) ADRB2CNR1CA2
SCHEMBL30025785 0.77 GLP1R (0.41) AOC2GLP1RMMP2MMP9MMP14
SCHEMBL18461186 0.76 MMP2 (0.62) AOC2MMP2MMP9MMP14MMP3
SCHEMBL10228581 0.76 ALDH1A1 (0.53) TP53CNR2CNR1KCNH2CRBN
SCHEMBL30026793 0.75 EPHX1 (0.47) AOC2GLP1RMMP2MMP9MMP14

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-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

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-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS KCNA3, KCNH3, KCNK3 AOC2 1743/4885GLP1R 1869/4885MMP2 4243/4885

“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.

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