SCHEMBL16787367

SCHEMBL16787367

CCC(=CF)CNC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
CA12 O43570 4/20 0.38
CA2 P00918 3/20 0.38
CA14 Q9ULX7 2/20 0.38
APLNR P35414 1/20 0.38
EPHX2 P34913 1/20 0.35
CA1 P00915 3/20 0.35
CA7 P43166 1/20 0.35
CTSK P43235 4/20 0.35
CA9 Q16790 2/20 0.35
EPHX1 P07099 1/20 0.35
CTSS P25774 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL22477320 1.00 TDP1 (0.41) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL15527598 0.86 TDP1 (0.45) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL15527596 0.86 TDP1 (0.45) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL15527599 0.86 TDP1 (0.45) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL23718791 0.85 MAOB (0.42) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL21780047 0.85 TDP1 (0.40) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL21040247 0.85 TDP1 (0.40) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL21615025 0.85 TDP1 (0.44) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL15527560 0.85 TDP1 (0.40) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL21615026 0.85 TDP1 (0.44) TDP1MAOAMAOBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11649233-B2 Halo-allylamine SSAO/VAP-1 inhibitor and use thereof NANJING TRANSTHERA BIOSCIENCES CO., LTD. (CN) 2023-05-16 US disclosed
US-20180086698-A1 SUBSTITUTED 3-HALOALLYLAMINE INHIBITORS OF SSAO AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2018-03-29 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20160244406-A1 Substituted 3-Haloallylamine Inhibitors of SSAO and uses thereof AOC3, HAO1, VAPA TDP1 399/4885MAOA 106/4885MAOB 212/4885
US-20180086698-A1 SUBSTITUTED 3-HALOALLYLAMINE INHIBITORS OF SSAO AND USES THEREOF AOC3, HAO1, VAPA TDP1 399/4885MAOA 106/4885MAOB 212/4885
US-11649233-B2 Halo-allylamine SSAO/VAP-1 inhibitor and use thereof VAPB, VAPA, ADRA1D TDP1 844/4885MAOA 1166/4885MAOB 1567/4885
US-20150158813-A1 SUBSTITUTED 3-HALOALLYLAMINE INHIBITORS OF ASSAO AND USES THEREOF HAO1, VAPA, AOC3 TDP1 479/4885MAOA 206/4885MAOB 524/4885

“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.