SCHEMBL2922255

SCHEMBL2922255

O=S(=O)(CCN1CCCC1)c1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.56
ESR2 Q92731 1/20 0.56
LOX P28300 5/20 0.55
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 3/20 0.49
GAA P10253 1/20 0.49
MAPK1 P28482 1/20 0.46
CA2 P00918 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 2/20 0.43
CYP2D6 P10635 1/20 0.43
LTA4H P09960 1/20 0.43

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
SCHEMBL2921597 0.98 ESR1 (0.58) ESR1ESR2LOXMEN1KMT2A
SCHEMBL2920100 0.85 MEN1 (0.72) ESR1ESR2LOXMEN1KMT2A
SCHEMBL14476103 0.82 MEN1 (0.73) LOXMEN1KMT2AALDH1A1MAPK1
SCHEMBL56319 0.81 LOX (0.57) ESR1ESR2LOXMEN1KMT2A
SCHEMBL8412814 0.81 ESR1 (0.52) ESR1ESR2LOXMEN1KMT2A
SCHEMBL13604236 0.81 KMT2A (0.71) LOXMEN1KMT2AALDH1A1MAPK1
SCHEMBL11471530 0.79 MBTD1 (0.51) ESR1ESR2LOXMEN1KMT2A
SCHEMBL12015819 0.79 LOX (0.51) LOXMEN1KMT2AALDH1A1GAA
SCHEMBL8423201 0.78 SMN1; SMN2 (0.60) LOXKMT2AALDH1A1GAALMNA
SCHEMBL6837022 0.78 ALDH1A1 (0.51) LOXMEN1KMT2AALDH1A1POLB

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
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
CN-101917845-A Haloallylamine inhibitors of SSAO/VAP-1 and uses therefor PHARMAXIS LTD 2010-12-15 CN 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 ESR1 4745/4885ESR2 4557/4885LOX 1346/4885

“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.