SCHEMBL1051237

SCHEMBL1051237

CCS(=O)(=O)NCCC[O]

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CA1 P00915 5/20 0.44
CA2 P00918 4/20 0.44
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44
PPARA Q07869 2/20 0.38
CNR2 P34972 1/20 0.38
GRIA1 P42261 3/20 0.36
RELA Q04206 4/20 0.35
EPHX1 P07099 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL607317 0.83
SCHEMBL8679104 0.81 CA1 (0.67) MEN1KMT2ACA1CA2CA12
SCHEMBL277303 0.81 CA1 (0.67) MEN1KMT2ACA1CA2CA12
SCHEMBL9665524 0.80 CA1 (0.45) MEN1KMT2ACA1CA2CA12
SCHEMBL694651 0.79 PPARA (0.60) MEN1KMT2ACA1CA2CA12
SCHEMBL23072065 0.77 MEN1 (0.46) MEN1KMT2ACA1CA2CA12
SCHEMBL1703654 0.77 PPARA (0.64) MEN1KMT2ACA1CA2CA12
SCHEMBL2048942 0.77 MEN1 (0.46) MEN1KMT2ACA1CA2CA12
SCHEMBL12800834 0.77 RELA (0.55) MEN1KMT2ACA1CA2CA12
SCHEMBL7691833 0.77 PPARA (0.64) MEN1KMT2ACA1CA2CA12

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 48 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-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 US disclosed
EP-2948450-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals, Inc. (US) 2015-12-02 EP disclosed
WO-2014117090-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2014-07-31 WO disclosed
US-8779198-B2 Ring opening of lactones and lactams NOVARTIS AG (CH) 2014-07-15 US disclosed
EP-1689702-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-01-30 EP disclosed
US-20120165555-A1 RING OPENING OF LACTONES AND LACTAMS NOVARTIS AG (CH) 2012-06-28 US disclosed
EP-2464623-A1 THE RING OPENING OF LACTONES AND LACTAMS Novartis AG (CH) 2012-06-20 EP disclosed
US-8084485-B2 6-(aminoalkyl)indazoles VITAE PHARMACEUTICALS, INC. (US) 2011-12-27 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
WO-2003103653-A1 METHODS OF TREATING ALZHEIMER'S DISEASE USING ARYL ALKANOIC ACID AMIDES ELAN PHARMACEUTICALS, INC. (US) 2003-12-18 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 (2 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-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO MEN1 511/4885KMT2A 1886/4885CA1 356/4885
US-20120165555-A1 RING OPENING OF LACTONES AND LACTAMS LSS, APH1A, OTUB1 MEN1 967/4885KMT2A 2195/4885CA1 1473/4885

“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.