SCHEMBL1604541

SCHEMBL1604541

C=CCOC[C@@H](NC(=O)OC(C)(C)C)C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
PPARA Q07869 2/20 0.41
CTSK P43235 8/20 0.40
CTSS P25774 5/20 0.40
CTSL P07711 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
CTSB P07858 1/20 0.40
PPARG P37231 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
KLK5 Q9Y337 2/20 0.37
KLK7 P49862 1/20 0.37

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
SCHEMBL615909 1.00 SMN1; SMN2 (0.50) SMN1; SMN2PPARACTSKCTSSCTSL
SCHEMBL615910 1.00 SMN1; SMN2 (0.50) SMN1; SMN2PPARACTSKCTSSCTSL
SCHEMBL15727302 0.90 SMN1; SMN2 (0.42) SMN1; SMN2CTSKCTSSCTSLNFKB1
SCHEMBL15727246 0.89 SMN1; SMN2 (0.43) SMN1; SMN2PPARACTSKCTSSCTSL
SCHEMBL23736344 0.89 SMN1; SMN2 (0.42) SMN1; SMN2PPARACTSKCTSSCTSL
SCHEMBL17884308 0.88 PPARA (0.42) SMN1; SMN2PPARACTSKCTSSCTSL
SCHEMBL614209 0.87 PPARA (0.53) SMN1; SMN2PPARACTSKCTSSCTSL
SCHEMBL1430675 0.87 PPARA (0.53) SMN1; SMN2PPARACTSKCTSSCTSL
SCHEMBL614208 0.87 PPARA (0.53) SMN1; SMN2PPARACTSKCTSSCTSL
SCHEMBL7541004 0.86 SMN1; SMN2 (0.48) SMN1; SMN2CTSKCTSSCTSLNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2486042-B1 BICYCLIC HETEROCYCLES AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2014-01-22 EP disclosed
US-8471004-B2 Bicyclic compounds HOFFMAN-LA ROCHE INC. (US) 2013-06-25 US disclosed
EP-2486042-A1 BICYCLIC HETEROCYCLES AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2012-08-15 EP disclosed
US-7998958-B2 Substituted N-arylsulfonylheterocyclic amines as gamma-secretase inhibitors SCHERING CORPORATION (US) 2011-08-16 US disclosed
US-7998958-B2 Substituted N-arylsulfonylheterocyclic amines as gamma-secretase inhibitors SCHERING CORPORATION (US) 2011-08-16 US disclosed
US-7998958-B2 Substituted N-arylsulfonylheterocyclic amines as gamma-secretase inhibitors SCHERING CORPORATION (US) 2011-08-16 US disclosed
WO-2011042399-A1 BICYCLIC HETEROCYCLES AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-04-14 WO disclosed
US-20110082294-A1 NOVEL BICYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2011-04-07 US disclosed
US-7763613-B2 Substituted N-arylsulfonylheterocyclic amines as gamma-secretase inhibitors SCHERING CORPORATION (US) 2010-07-27 US disclosed
US-7763613-B2 Substituted N-arylsulfonylheterocyclic amines as gamma-secretase inhibitors SCHERING CORPORATION (US) 2010-07-27 US disclosed
US-20100093695-A1 Substituted N-Arylsulfonylheterocyclic Amines As Gamma-Secretase Inhibitors SCHERING CORP. 2010-04-15 US disclosed
US-20100093695-A1 Substituted N-Arylsulfonylheterocyclic Amines As Gamma-Secretase Inhibitors SCHERING CORP. 2010-04-15 US disclosed
US-20100087425-A1 Substituted N-Arylsulfonylheterocyclic Amines As Gamma-Secretase Inhibitors SCHERING CORP. 2010-04-08 US disclosed
US-20100087425-A1 Substituted N-Arylsulfonylheterocyclic Amines As Gamma-Secretase Inhibitors SCHERING CORP. 2010-04-08 US disclosed
US-20100087425-A1 Substituted N-Arylsulfonylheterocyclic Amines As Gamma-Secretase Inhibitors SCHERING CORP. 2010-04-08 US disclosed
EP-1789404-B1 SUBSTITUTED N-ARYLSULFONYLHETEROCYCLIC AMINES AS GAMMA-SECRETASE INHIBITORS SCHERING CORP (US) 2010-03-24 EP disclosed
EP-1789404-A2 SUBSTITUTED N-ARYLSULFONYLHETEROCYCLIC AMINES AS GAMMA-SECRETASE INHIBITORS SCHERING CORPORATION (US) 2007-05-30 EP disclosed
US-20060040936-A1 Substituted N-arylsulfonylheterocyclic amines as gamma-secretase inhibitors SCHERING CORPORATION 2006-02-23 US disclosed
WO-2006004880-A2 SUBSTITUTED N-ARYLSULFONYLHETEROCYCLIC AMINES AS GAMMA-SECRETASE INHIBITORS SCHERING CORPORATION (US) 2006-01-12 WO disclosed
WO-2006004880-A2 SUBSTITUTED N-ARYLSULFONYLHETEROCYCLIC AMINES AS GAMMA-SECRETASE INHIBITORS SCHERING CORPORATION (US) 2006-01-12 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 (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-20110082294-A1 NOVEL BICYCLIC COMPOUNDS CCR2, CCR3, CCR1 SMN1; SMN2 4525/4885PPARA 534/4885CTSK 2628/4885
US-20100093695-A1 Substituted N-Arylsulfonylheterocyclic Amines As Gamma-Secretase Inhibitors BACE1, BACE2, APP SMN1; SMN2 1971/4885PPARA 1505/4885CTSK 130/4885
US-20100087425-A1 Substituted N-Arylsulfonylheterocyclic Amines As Gamma-Secretase Inhibitors BACE1, BACE2, APP SMN1; SMN2 2019/4885PPARA 1543/4885CTSK 130/4885
US-20060040936-A1 Substituted N-arylsulfonylheterocyclic amines as gamma-secretase inhibitors BACE1, BACE2, APP SMN1; SMN2 1971/4885PPARA 1505/4885CTSK 130/4885

“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.