SCHEMBL1051785

SCHEMBL1051785

CC(C)(C)S(=O)(=O)NCCCO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.39
PTGS1 P23219 1/20 0.36
KCNH2 Q12809 1/20 0.36
ALDH1A1 P00352 3/20 0.36
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
CA12 O43570 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
PKM P14618 2/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
GRIA1 P42261 3/20 0.32
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32

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
SCHEMBL8404334 0.86 ALDH1A1 (0.41) EPHX1ALDH1A1PKMGAA
SCHEMBL10133161 0.79 CA1 (0.58) EPHX1ALDH1A1CA1CA2CA12
SCHEMBL1051783 0.79 EPHX1 (0.41) EPHX1CA1CA2CA12CA7
SCHEMBL13194359 0.77 EPHX1 (0.39) EPHX1CA1CA2CA12CA7
SCHEMBL22955433 0.77 EPHX1 (0.39) EPHX1CA1CA2CA12CA7
SCHEMBL15609677 0.77 EPHX1 (0.39) EPHX1CA1CA2CA12CA7
SCHEMBL9111448 0.77 EPHX1 (0.39) EPHX1CA1CA2CA12CA7
SCHEMBL10115090 0.77 EPHX1 (0.64) EPHX1ALDH1A1CA1CA2CA12
SCHEMBL15116353 0.77 EPHX1 (0.59) EPHX1ALDH1A1CA1CA2CA12
SCHEMBL13972896 0.76 EPHX1 (0.68) EPHX1CA1CA2CA12CA7

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2464623-B1 THE RING OPENING OF LACTONES AND LACTAMS NOVARTIS AG (CH) 2020-11-04 EP disclosed
US-8779198-B2 Ring opening of lactones and lactams NOVARTIS AG (CH) 2014-07-15 US disclosed
US-20120165555-A1 RING OPENING OF LACTONES AND LACTAMS NOVARTIS AG (CH) 2012-06-28 US disclosed
US-8084485-B2 6-(aminoalkyl)indazoles VITAE PHARMACEUTICALS, INC. (US) 2011-12-27 US disclosed
US-7919529-B2 δ-amino-γ-hydroxy-ω-aryl-alkanoic acid amides NOVARTIS AG (CH) 2011-04-05 US disclosed
US-7868036-B2 Organic compounds NOVARTIS AG (CH) 2011-01-11 US disclosed
US-20100331287-A1 6-(Aminoalkyl)Indazoles VITAE PHARMACEUTICALS, INC. 2010-12-30 US disclosed
EP-2266951-A1 Organic compounds Novartis AG (CH) 2010-12-29 EP disclosed
US-7851642-B2 δ-amino-γ-hydroxy-ω-aryl-alkanoic acid amide compound NOVARTIS AG (CH) 2010-12-14 US disclosed
US-20100298328-A1 1-Heterocyclylamino-2-Hydroxy-3-Amino-Omega-Arylalkanes VITAE PHARMACEUTICALS, INC 2010-11-25 US disclosed
US-20060154926-A1 Methods of treating alzheimer's disease using aryl alkanoic acid amides ELAN PHARMACEUTICALS, INC. 2006-07-13 US disclosed
WO-2005090304-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-09-29 WO disclosed
WO-2005051895-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2005-06-09 WO disclosed
EP-0678503-B1 Delta-amino-gamma-hydroxy-omega-aryl alkanoic acid amides with enzyme especially renin inhibiting activities NOVARTIS AG (CH) 1999-09-01 EP disclosed
US-5705658-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-01-06 US disclosed
US-5654445-A INTERMEDIATES FOR RENIN INHIBITORS, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-08-05 US disclosed
US-5646143-A FOR TREATING A VARIETY OF CONDITIONS CIBA-GEIGY CORPORATION (US) 1997-07-08 US disclosed
US-5627182-A RENIN INHIBITORS FOR USE AS HYPOTENSIVE AGENTS CIBA GEIGY CORPORATION (US) 1997-05-06 US disclosed
US-5559111-A HYPOTENSIVE AGENTS; RENIN INHIBITORS; Aliskiren CIBA-GEIGY CORPORATION (US) 1996-09-24 US disclosed
EP-0678503-A1 Delta-amino-gamma-hydroxy-omega-aryl alkanoic acid amides with enzyme especially renin inhibiting activities CIBA-GEIGY AG (CH) 1995-10-25 EP 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 (4 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-20100331287-A1 6-(Aminoalkyl)Indazoles REN, AGTR1, AGTR2 EPHX1 692/4885PTGS1 83/4885KCNH2 119/4885
US-20100298328-A1 1-Heterocyclylamino-2-Hydroxy-3-Amino-Omega-Arylalkanes REN, AGTR1, AGTR2 EPHX1 125/4885PTGS1 37/4885KCNH2 587/4885
US-20060154926-A1 Methods of treating alzheimer's disease using aryl alkanoic acid amides BACE1, APP, PSEN1 EPHX1 220/4885PTGS1 2019/4885KCNH2 2391/4885
US-20120165555-A1 RING OPENING OF LACTONES AND LACTAMS LSS, APH1A, OTUB1 EPHX1 1368/4885PTGS1 1093/4885KCNH2 3553/4885

“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.