SCHEMBL497024

SCHEMBL497024

CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C=O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
ACE P12821 12/20 0.53
ABCB11 O95342 2/20 0.53
LMNA P02545 2/20 0.53
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
USP2 O75604 1/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
PDE3A Q14432 1/20 0.48

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
SCHEMBL10834443 1.00 SMN1; SMN2 (0.56) SMN1; SMN2ACEABCB11LMNAMEN1
SCHEMBL14374305 0.86 ACE (0.60) SMN1; SMN2ACEABCB11LMNAMEN1
SCHEMBL12304830 0.86 ACE (0.60) SMN1; SMN2ACEABCB11LMNAMEN1
SCHEMBL4671532 0.85 ACE (0.61) SMN1; SMN2ACEABCB11LMNAMEN1
SCHEMBL4671537 0.85 ACE (0.61) SMN1; SMN2ACEABCB11LMNAMEN1
SCHEMBL3780597 0.83 ACE (0.60) SMN1; SMN2ACEABCB11LMNAMEN1
SCHEMBL3369452 0.83 ACE (0.60) SMN1; SMN2ACEABCB11LMNAMEN1
SCHEMBL4669890 0.83 ACE (0.60) SMN1; SMN2ACEABCB11LMNAMEN1
SCHEMBL1221172 0.83 ACE (0.60) SMN1; SMN2ACEABCB11LMNAMEN1
SCHEMBL4669921 0.83 ACE (0.60) SMN1; SMN2ACEABCB11LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0219651-B1 Inorganic acid salt of N-[1(S)-ethoxycarbonyl-3-phenylpropyl]-L-alanylchloride and process for preparing the same KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1990-10-31 EP claimed
EP-0278158-A2 Renin inhibitors containing phenylalanyl-histidine replacements MERCK & CO. INC. (US) 1988-08-17 EP claimed
US-8445678-B2 2-quinoxalinol salen compounds and uses thereof AUBURN UNIVERSITY (US) 2013-05-21 US disclosed
US-8420683-B2 5 substituted hydantoins DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2013-04-16 US disclosed
US-8263784-B2 Method for the synthesis of a ramipril intermediate DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2012-09-11 US disclosed
EP-2150538-B1 NOVEL 5-SUBSTITUTED HYDANTOINS DSM SINOCHEM PHARM NL BV (NL) 2012-03-28 EP disclosed
US-20120028362-A1 2-QUINOXALINOL SALEN COMPOUNDS AND USES THEREOF AUBURN UNIVERSITY (US) 2012-02-02 US disclosed
US-8105807-B2 Carbamoylglycine derivatives DSM IP ASSETS B.V. (NL) 2012-01-31 US disclosed
EP-2200981-B1 NOVEL CARBAMOYLGLYCINE DERIVATIVES DSM IP ASSETS BV (NL) 2011-12-07 EP disclosed
US-20110263871-A1 METHOD FOR THE SYNTHESIS OF A RAMIPRIL INTERMEDIATE DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2011-10-27 US disclosed
EP-2344455-A1 METHOD FOR THE SYNTHESIS OF A RAMIPRIL INTERMEDIATE DSM IP Assets B.V. (NL) 2011-07-20 EP disclosed
US-20090286968-A1 2-Quinoxalinol Salen Compounds and Uses Thereof AUBURN UNIVERSITY (US) 2009-11-19 US disclosed
WO-2009098251-A1 NOVEL CYCLOALKANONE β-SUBSTITUTED ALANINE DERIVATIVES DSM IP ASSETS B.V. (NL) 2009-08-13 WO disclosed
WO-2009050041-A1 NOVEL CARBAMOYLGLYCINE DERIVATIVES DSM IP ASSETS B.V. (NL) 2009-04-23 WO disclosed
WO-2008148755-A2 NOVEL 5-SUBSTITUTED HYDANTOINS DSM IP ASSETS B.V. (NL) 2008-12-11 WO disclosed
EP-0967221-B1 PROCESS FOR PREPARING PHARMACOLOGICALLY ACCEPTABLE SALTS OF N-(1(S)-ETHOXYCARBONYL-3-PHENYLPROPYL)-L-ALANYL AMINO ACIDS KANEKA CORP (JP) 2005-05-25 EP disclosed
EP-0967221-A4 PROCESS FOR PREPARING PHARMACOLOGICALLY ACCEPTABLE SALTS OF N-(1(S)-ETHOXYCARBONYL-3-PHENYLPROPYL)-L-ALANYL AMINO ACIDS KANEKA CORP (JP) 2002-05-02 EP disclosed
US-5869671-A Process for preparing an angiotensin converting enzyme inhibitor INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1999-02-09 US disclosed
WO-1999005164-A1 PROCESS FOR PREPARING PHARMACOLOGICALLY ACCEPTABLE SALTS OF N-(1(S)-ETHOXYCARBONYL-3-PHENYLPROPYL)-L-ALANYL AMINO ACIDS KANEKA CORPORATION (JP) 1999-02-04 WO disclosed
EP-0061768-B1 N-AMIDO SUBSTITUTED DIPEPTIDES USV PHARMACEUTICAL CORPORATION (US) 1986-05-14 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 (3 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-20090286968-A1 2-Quinoxalinol Salen Compounds and Uses Thereof NQO1, NQO2, SQOR SMN1; SMN2 1013/4885ACE 1254/4885ABCB11 3127/4885
US-20120028362-A1 2-QUINOXALINOL SALEN COMPOUNDS AND USES THEREOF NQO1, NQO2, SQOR SMN1; SMN2 1013/4885ACE 1254/4885ABCB11 3127/4885
US-20110263871-A1 METHOD FOR THE SYNTHESIS OF A RAMIPRIL INTERMEDIATE POR, CYP11B2, CYP1A2 SMN1; SMN2 4150/4885ACE 50/4885ABCB11 620/4885

“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.