Sugi Predict

Sugi Predict / Compounds / SCHEMBL2922518

SCHEMBL2922518

SCHEMBL2922518

CCOC(=O)C(F)=CCNC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ CA12 O43570 3/20 0.35
▸ CA1 P00915 3/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ CTSK P43235 3/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ PKM P14618 1/20 0.33

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
SCHEMBL2922516 1.00 MEN1 (0.39) MEN1KMT2AALDH1A1TSHRTDP1
SCHEMBL13058172 1.00 MEN1 (0.39) MEN1KMT2AALDH1A1TSHRTDP1
SCHEMBL21815164 0.86 TDP1 (0.40) MEN1KMT2ATDP1GAAHTT
SCHEMBL21815165 0.86 TDP1 (0.40) MEN1KMT2ATDP1GAAHTT
SCHEMBL7875673 0.83 MEN1 (0.40) MEN1KMT2AALDH1A1TSHRTDP1
SCHEMBL13772345 0.82 TDP1 (0.52) MEN1KMT2AALDH1A1TSHRTDP1
SCHEMBL28599928 0.82 MEN1 (0.41) MEN1KMT2AALDH1A1TSHRTDP1
SCHEMBL18957258 0.81 MEN1 (0.42) MEN1KMT2ATDP1GAACA12
SCHEMBL2918834 0.81 MEN1 (0.42) MEN1KMT2ATDP1GAACA12
SCHEMBL2918829 0.81 MEN1 (0.42) MEN1KMT2ATDP1GAACA12

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
CN-113105475-B Inhibitors of bruton's tyrosine kinase and methods of use thereof 詹森药业有限公司 2022-09-09 — — CN disclosed
CN-113164571-A Inhibition of ubiquitin-specific peptidase 9X 福马治疗股份有限公司 2021-07-23 — — CN disclosed
EP-3829520-A1 HALOALLYLAMINE SULFONE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF Pharmaxis Ltd. (AU) 2021-06-09 — — EP disclosed
WO-2020024017-A1 HALOALLYLAMINE SULFONE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2020-02-06 — — WO disclosed
EP-2222160-B1 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR PHARMAXIS LTD (AU) 2015-03-18 — — EP disclosed
US-8426587-B2 Haloallylamine inhibitors of SSAO/VAP-1 and uses therefor PHARMAXIS LTD. (AU) 2013-04-23 — — US disclosed
US-20100298330-A1 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR PHARMAXIS LTD. (AU) 2010-11-25 — — US disclosed
EP-2222160-A2 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR Pharmaxis Ltd. (AU) 2010-09-01 — — EP disclosed
WO-2009066152-A2 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR PHARMAXIS LTD. (US) 2009-05-28 — — WO 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-20100298330-A1 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR VAPA, SLC6A11, VAPB MEN1 3253/4885KMT2A 3980/4885ALDH1A1 118/4885

“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.