SCHEMBL2918280

SCHEMBL2918280

CCC(C)S(=O)(=O)c1ccc(O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.48
▸ LMNA P02545 2/20 0.45
▸ ESR1 P03372 6/20 0.44
▸ CA2 P00918 2/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ SLC6A2 P23975 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ PGR P06401 1/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ AR P10275 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ ALOX15 P16050 1/20 0.42

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
SCHEMBL881946 0.82 GBA1 (0.49) CA2CA12CA1CA9KMT2A
SCHEMBL12605150 0.82 GBA1 (0.49) CA2CA12CA1CA9KMT2A
SCHEMBL16852254 0.80 BCHE (0.46) LMNACA2CA12CA1CA9
SCHEMBL12674211 0.80 MMP2 (0.47) CA2CA12CA1CA9KMT2A
SCHEMBL13813079 0.80 MMP2 (0.47) CA2CA12CA1CA9KMT2A
SCHEMBL9072788 0.80 MAPT (0.40) CA2CA12CA1CA9MAPT
SCHEMBL1899031 0.80 TP53 (0.52) CA2CA1KMT2AMAPT
SCHEMBL2446838 0.79 PSIP1 (0.52) CYP1A2MAPTCYP2C9CYP2C19TDP1
SCHEMBL2646217 0.79 ENPP2 (0.56) ENPP2LMNAESR1CA2CA12
SCHEMBL3189814 0.76 TP53 (0.34) MAPTGAAATMATR

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 8 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
US-4119729-A TREATMENT OF HYPERTENSION MEAD JOHNSON & COMPANY (US) 1978-10-10 — — US disclosed
US-4067904-A ANTIARRHYTHMIA, HYPOTENSIVE MEAD JOHNSON & COMPANY (US) 1978-01-10 — — 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 ENPP2 1553/4885LMNA 954/4885ESR1 4745/4885

“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.

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