SCHEMBL5014651

SCHEMBL5014651

C[C@H](Nc1ccc(C#N)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.54
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MCL1 Q07820 1/20 0.48
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
NLRP3 Q96P20 1/20 0.45
MMP1 P03956 2/20 0.44
MMP3 P08254 2/20 0.44
MMP7 P09237 2/20 0.44
MMP9 P14780 2/20 0.44
MMP13 P45452 2/20 0.44
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL5014650 1.00 MMP2 (0.54) MMP2MEN1KMT2AMCL1MAPT
SCHEMBL27406586 0.84 MMP2 (0.53) MMP2MEN1KMT2AMCL1MAPT
SCHEMBL27406587 0.84 MMP2 (0.53) MMP2MEN1KMT2AMCL1MAPT
SCHEMBL8389168 0.84 MMP2 (0.53) MMP2MEN1KMT2AMCL1MAPT
SCHEMBL3610994 0.83 MMP2 (0.56) MMP2MEN1KMT2AMAPTLMNA
SCHEMBL28097058 0.83 MEN1 (0.52) MMP2MEN1KMT2AMCL1MAPT
Hydrochloric Acid SCHEMBL29565420 0.83 MMP2 (0.51) MMP2MEN1KMT2AMCL1MAPT
SCHEMBL11196704 0.83 MMP2 (0.56) MMP2MEN1KMT2AMAPTLMNA
SCHEMBL11332245 0.82 MEN1 (0.49) MMP2MEN1KMT2AMCL1MMP3
SCHEMBL14166098 0.82 CYP2C9 (0.39) MMP2MEN1KMT2AMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130022620-A1 ASSAYS AND METHODS PERTAINING TO PRE-AMYLOID INTERMEDIATES NATIONAL INSTITUTES OF HEALTH 2013-01-24 US disclosed
WO-2008031016-A2 HETEROCYCLIC LIGANDS FOR INTEGRIN IMAGING AND THERAPY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-03-13 WO disclosed
EP-1282694-A4 SULFAMIDE AND BIS-SULFAMIDE AMINO ACID DERIVATIVES AS INHIBITORS OF PROTEOLYTIC ENZYMES SUPERGEN INC (US) 2005-10-26 EP disclosed
EP-1001764-A4 HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS MERCK & CO INC (US) 2005-08-24 EP disclosed
US-6903075-B1 Heterocyclic amide compounds as cell adhesion inhibitors MERCK & CO., INC. (US) 2005-06-07 US disclosed
US-20040058900-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds WU JING (US) 2004-03-25 US disclosed
US-20040043977-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds WU JING (US) 2004-03-04 US disclosed
US-6683075-B1 FUSED NITROGENHETEROCYCLIC AMIDES; ALZHEIMER'S DISEASE ATHENA NEUROSCIENCES, INC. 2004-01-27 US disclosed
US-6667305-B1 Alzheimer's disease; beta-amyloid peptide is a small fragment of the amyloid precursor protein ATHENA NEUROSCIENCES, INC. 2003-12-23 US disclosed
US-6653303-B1 Fused nitroheterocycle with amino and amido functionality; inhibiting beta-amyloid peptide release and/or synthesis; Alzheimer's disease ATHENA NEUROSCIENCES, INC. 2003-11-25 US disclosed
EP-1011668-A1 1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE DERIVATIVES THE WICHITA STATE UNIVERSITY (US) 2000-06-28 EP disclosed
EP-1001764-A1 HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS Merck & Co., Inc. (a New Jersey corp.) (US) 2000-05-24 EP disclosed
WO-1999064395-A1 HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 1999-12-16 WO disclosed
EP-0384362-B1 Glycinderivatives HOFFMANN LA ROCHE (CH) 1999-12-15 EP disclosed
WO-1999009977-A9 1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE DERIVATIVES UNIV WICHITA STATE (US) 1999-06-24 WO disclosed
WO-1999009977-A1 1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE DERIVATIVES WICHITA STATE UNIVERSITY (US) 1999-03-04 WO disclosed
WO-1998053814-A1 HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 1998-12-03 WO disclosed
US-5674890-A HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS; PSYCHOLOGICAL DISORDERS; ANTAGONISTS OF PEPTIDE Y SANOFI (FR) 1997-10-07 US disclosed
US-5663297-A OLIGOPEPTIDES HOFFMANN-LA ROCHE INC. (US) 1997-09-02 US disclosed
EP-0384362-A2 Glycinderivatives F. HOFFMANN-LA ROCHE AG (CH) 1990-08-29 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-20040043977-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds BACE1, APP, BACE2 MMP2 313/4885MEN1 953/4885KMT2A 4751/4885
US-20040058900-A1 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds BACE1, APP, BACE2 MMP2 313/4885MEN1 953/4885KMT2A 4751/4885

“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.