SCHEMBL16767547

SCHEMBL16767547

CN(C)S(=O)(=O)c1ccc(OC/C(=C\F)CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 5/20 0.47
▸ CA1 P00915 5/20 0.47
▸ CA2 P00918 5/20 0.47
▸ CA9 Q16790 5/20 0.47
▸ AOC2 O75106 6/20 0.46
▸ MAOB P27338 6/20 0.44
▸ RAB9A P51151 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ PTPN1 P18031 1/20 0.42
▸ AOC3 Q16853 2/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL16767549 1.00 CA12 (0.47) CA12CA1CA2CA9AOC2
SCHEMBL24295299 0.87 CA1 (0.63) CA12CA1CA2CA9AOC2
SCHEMBL23852233 0.87 CA1 (0.63) CA12CA1CA2CA9AOC2
SCHEMBL15527849 0.85 ALDH1A1 (0.47) AOC2MAOBRAB9AALDH1A1PTPN1
SCHEMBL15527848 0.85 ALDH1A1 (0.47) AOC2MAOBRAB9AALDH1A1PTPN1
SCHEMBL23370042 0.85 MAOB (0.64) CA12CA1CA2CA9AOC2
SCHEMBL24906961 0.83 AOC2 (0.67) CA12CA1CA2CA9AOC2
SCHEMBL16766885 0.83 AOC2 (0.46) AOC2MAOBRAB9AALDH1A1PTPN1
SCHEMBL23329639 0.83 MAOB (0.46) CA12CA1CA2CA9AOC2
SCHEMBL16767233 0.83 MAOB (0.47) CA12CA1CA2CA9AOC2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190071396-A1 SUBSTITUTED 3-HALOALLYLAMINE INHIBITORS OF SSAO AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2019-03-07 — — US disclosed
EP-3438087-A1 SUBSTITUTED 3-HALOALLYLAMINE INHIBITORS OF SSAO AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2019-02-06 — — EP disclosed
EP-3438087-A1 SUBSTITUTED 3-HALOALLYLAMINE INHIBITORS OF SSAO AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2019-02-06 — — EP disclosed
US-10160723-B2 Substituted 3-haloallylamine inhibitors of SSAO and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-12-25 — — US disclosed
US-20180086698-A1 SUBSTITUTED 3-HALOALLYLAMINE INHIBITORS OF SSAO AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2018-03-29 — — US disclosed
US-20180086698-A1 SUBSTITUTED 3-HALOALLYLAMINE INHIBITORS OF SSAO AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2018-03-29 — — US disclosed
US-20180086698-A1 SUBSTITUTED 3-HALOALLYLAMINE INHIBITORS OF SSAO AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2018-03-29 — — US disclosed
EP-2844637-B1 SUBSTITUTED 3-HALOALLYLAMINE INHIBITORS OF SSAO AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2018-03-28 — — EP disclosed
EP-2844637-B1 SUBSTITUTED 3-HALOALLYLAMINE INHIBITORS OF SSAO AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2018-03-28 — — EP disclosed
US-9815782-B2 Substituted 3-haloallylamine inhibitors of SSAO and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-11-14 — — US disclosed
US-9815782-B2 Substituted 3-haloallylamine inhibitors of SSAO and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-11-14 — — US disclosed
US-20160244406-A1 Substituted 3-Haloallylamine Inhibitors of SSAO and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-08-25 — — US disclosed
US-20160244406-A1 Substituted 3-Haloallylamine Inhibitors of SSAO and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-08-25 — — US disclosed
US-20160244406-A1 Substituted 3-Haloallylamine Inhibitors of SSAO and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-08-25 — — US disclosed
US-9302986-B2 Substituted 3-haloallylamine inhibitors of ASSAO and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-05 — — US disclosed
US-9302986-B2 Substituted 3-haloallylamine inhibitors of ASSAO and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-05 — — US disclosed
US-9302986-B2 Substituted 3-haloallylamine inhibitors of ASSAO and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-05 — — US disclosed
US-20150158813-A1 SUBSTITUTED 3-HALOALLYLAMINE INHIBITORS OF ASSAO AND USES THEREOF PHARMAXIS, LTD. (AU) 2015-06-11 — — US disclosed
US-20150158813-A1 SUBSTITUTED 3-HALOALLYLAMINE INHIBITORS OF ASSAO AND USES THEREOF PHARMAXIS, LTD. (AU) 2015-06-11 — — US disclosed
US-20150158813-A1 SUBSTITUTED 3-HALOALLYLAMINE INHIBITORS OF ASSAO AND USES THEREOF PHARMAXIS, LTD. (AU) 2015-06-11 — — 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 (5 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-20190071396-A1 SUBSTITUTED 3-HALOALLYLAMINE INHIBITORS OF SSAO AND USES THEREOF AOC3, HAO1, VAPA CA12 4182/4885CA1 4596/4885CA2 3059/4885
US-20160244406-A1 Substituted 3-Haloallylamine Inhibitors of SSAO and uses thereof AOC3, HAO1, VAPA CA12 4182/4885CA1 4596/4885CA2 3059/4885
US-10160723-B2 Substituted 3-haloallylamine inhibitors of SSAO and uses thereof AOC3, HAO1, VAPA CA12 4182/4885CA1 4596/4885CA2 3059/4885
US-20180086698-A1 SUBSTITUTED 3-HALOALLYLAMINE INHIBITORS OF SSAO AND USES THEREOF AOC3, HAO1, VAPA CA12 4182/4885CA1 4596/4885CA2 3059/4885
US-20150158813-A1 SUBSTITUTED 3-HALOALLYLAMINE INHIBITORS OF ASSAO AND USES THEREOF HAO1, VAPA, AOC3 CA12 4435/4885CA1 4634/4885CA2 2888/4885

“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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