SCHEMBL2916646

SCHEMBL2916646

CC(C)(C)CS(=O)(=O)c1ccc(O)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CA2 P00918 3/20 0.52
ENPP2 Q13822 1/20 0.50
ESR1 P03372 3/20 0.48
LMNA P02545 1/20 0.46
SHBG P04278 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA9 Q16790 1/20 0.45
ELANE P08246 2/20 0.43
BLM P54132 1/20 0.43
UQCRB P14927 1/20 0.42
MMP13 P45452 1/20 0.42
ESR2 Q92731 2/20 0.42
GAA P10253 2/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL25385935 0.83 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1CA2LMNA
SCHEMBL507150 0.81 ALDH1A1 (0.71) KMT2AMEN1ALDH1A1CA2LMNA
SCHEMBL10454281 0.79 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1CA2LMNA
SCHEMBL8795743 0.79 CA2 (0.52) KMT2AMEN1ALDH1A1CA2ENPP2
SCHEMBL10453838 0.79 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1CA2CA1
SCHEMBL10266898 0.79 PLCG1 (0.59) KMT2AMEN1ALDH1A1CA2CA12
SCHEMBL2446368 0.78 PSIP1 (0.60) KMT2AMEN1ALDH1A1MMP13
SCHEMBL1657371 0.78 CA2 (0.59) KMT2ACA2ENPP2ESR1LMNA
SCHEMBL15121175 0.76 CA1 (0.50) KMT2AMEN1ALDH1A1CA2CA1
SCHEMBL508187 0.76 PSIP1 (0.66) KMT2AMEN1ALDH1A1CA2CA12

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 KMT2A 3980/4885MEN1 3253/4885ALDH1A1 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.