SCHEMBL3751933

SCHEMBL3751933

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

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.51
ENPP2 Q13822 1/20 0.45
ALDH1A1 P00352 1/20 0.43
ESR2 Q92731 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 2/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
HSD17B10 Q99714 1/20 0.40
UQCRB P14927 1/20 0.40
ADAMTS4 O75173 1/20 0.40
TYR P14679 1/20 0.40
CES2 O00748 1/20 0.39

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
SCHEMBL11848869 0.86 HTR6 (0.44) ALDH1A1KMT2ALMNACA12CA1
SCHEMBL12373175 0.83 NPY2R (0.50) ALDH1A1CA12CA1CA2CA9
SCHEMBL23555108 0.79 ALDH1A1 (0.38) ALDH1A1KMT2ALMNACA12CA1
SCHEMBL13101211 0.77 TDP1 (0.46) ALDH1A1KMT2ALMNACA12CA1
SCHEMBL2646217 0.76 ENPP2 (0.56) ESR1ENPP2ALDH1A1ESR2KMT2A
SCHEMBL6510279 0.74 KEAP1 (0.44) ALDH1A1KMT2ALMNACA12CA1
SCHEMBL29017574 0.74 LTA4H (0.41) ESR1ALDH1A1ESR2KMT2ALMNA
SCHEMBL3751598 0.74 ALDH1A1 (0.68) ALDH1A1KMT2AADAMTS4
SCHEMBL3757552 0.74 ALDH1A1 (0.68) ALDH1A1KMT2AADAMTS4
SCHEMBL312933 0.74 LCK (0.47) ALDH1A1KMT2ALMNAHSD17B10

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
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

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 4745/4885ENPP2 1553/4885ALDH1A1 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.