SCHEMBL2920100

SCHEMBL2920100

O=S(=O)(CCN1CCOCC1)c1ccc(O)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.72
KMT2A Q03164 2/20 0.72
EPHX2 P34913 3/20 0.53
ATM Q13315 1/20 0.50
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
MTOR P42345 1/20 0.46
PIK3CG P48736 1/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
CA12 O43570 1/20 0.46

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
SCHEMBL11460203 0.91 EPHX2 (0.64) MEN1KMT2AEPHX2ATMPOLB
Hydrochloric Acid SCHEMBL11458330 0.90 EPHX2 (0.62) MEN1KMT2AEPHX2ATMPOLB
SCHEMBL2922255 0.85 ESR1 (0.56) MEN1KMT2APOLBALDH1A1GAA
SCHEMBL3517085 0.84 KMT2A (0.72) MEN1KMT2AEPHX2POLBMAPT
SCHEMBL1939359 0.84 KMT2A (0.72) MEN1KMT2AEPHX2RAB9ASMN1; SMN2
SCHEMBL11535141 0.84 MEN1 (0.72) MEN1KMT2AEPHX2ATMPOLB
SCHEMBL5261643 0.84 KMT2A (0.72) MEN1KMT2AEPHX2POLBRAB9A
SCHEMBL11531653 0.84 MEN1 (0.72) MEN1KMT2AEPHX2POLBRAB9A
SCHEMBL2921597 0.84 ESR1 (0.58) MEN1KMT2APOLBALDH1A1GAA
Succinic Acid SCHEMBL11462357 0.84 EPHX2 (0.63) MEN1KMT2AEPHX2ATMPOLB

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4183927-A Substituted phenylthioalkylamines and compositions thereof THE DOW CHEMICAL COMPANY (US) 1980-01-15 US claimed
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
US-4183927-A Substituted phenylthioalkylamines and compositions thereof THE DOW CHEMICAL COMPANY (US) 1980-01-15 US disclosed
US-4155907-A Method for inhibiting ADP-induced platelet aggregation using phenylthioalkylamines THE DOW CHEMICAL COMPANY (US) 1979-05-22 US disclosed
US-4141983-A Method for inhibiting ADP-induced platelet aggregation using phenylthioalkylamines THE DOW CHEMICAL COMPANY (US) 1979-02-27 US disclosed
US-4134996-A METHOD FOR INHIBITING ADP-INDUCED PLATELET AGGREGATION USING PHENYLTHIOALKYLAMINES THE DOW CHEMICAL COMPANY (US) 1979-01-16 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 MEN1 3253/4885KMT2A 3980/4885EPHX2 2897/4885

“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.