SCHEMBL3751598

SCHEMBL3751598

CC(NS(=O)(=O)c1ccc(O)cc1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
POLB P06746 1/20 0.67
SIRT2 Q8IXJ6 1/20 0.54
SIRT1 Q96EB6 1/20 0.54
ADAMTS4 O75173 2/20 0.54
LOXL2 Q9Y4K0 3/20 0.52
AOC3 Q16853 2/20 0.52
GFER P55789 1/20 0.51
NAMPT P43490 1/20 0.51
TSHR P16473 1/20 0.51
RAB9A P51151 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CNR1 P21554 1/20 0.49

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
SCHEMBL3757552 1.00 ALDH1A1 (0.68) ALDH1A1POLBSIRT2SIRT1ADAMTS4
SCHEMBL3759433 0.88 ALDH1A1 (0.73) ALDH1A1POLBSIRT2SIRT1LOXL2
SCHEMBL28426090 0.88 ALDH1A1 (0.73) ALDH1A1POLBSIRT2SIRT1LOXL2
Hydrochloric Acid SCHEMBL8123779 0.86 ALDH1A1 (0.71) ALDH1A1POLBLOXL2AOC3MEN1
SCHEMBL20021998 0.85 ALDH1A1 (0.69) ALDH1A1POLBADAMTS4MEN1KMT2A
SCHEMBL14619788 0.85 ALDH1A1 (0.69) ALDH1A1POLBGFERTSHRCNR1
SCHEMBL28423968 0.85 ALDH1A1 (0.69) ALDH1A1POLBGFERTSHRCNR1
SCHEMBL120374 0.84 POLB (0.68) ALDH1A1POLBSIRT2SIRT1ADAMTS4
SCHEMBL1287373 0.83 ALDH1A1 (0.68) ALDH1A1POLBMEN1KMT2A
SCHEMBL1287280 0.83 ALDH1A1 (0.68) ALDH1A1POLBMEN1KMT2A

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 4 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
US-20100298330-A1 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR PHARMAXIS LTD. (AU) 2010-11-25 US disclosed
US-4585483-A Recording materials FUJI PHOTO FILM CO., LTD. (JP) 1986-04-29 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-20100298330-A1 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR VAPA, SLC6A11, VAPB ALDH1A1 118/4885POLB 1598/4885SIRT2 2871/4885

“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.