SCHEMBL503522

SCHEMBL503522

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

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
ACE P12821 10/20 0.53
LMNA P02545 2/20 0.53
ABCB11 O95342 2/20 0.51
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 0.46
REN P00797 2/20 0.46

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
SCHEMBL503523 1.00 SMN1; SMN2 (0.53) SMN1; SMN2ACELMNAABCB11MEN1
SCHEMBL2676753 1.00 SMN1; SMN2 (0.53) SMN1; SMN2ACELMNAABCB11MEN1
SCHEMBL10835080 0.91 SMN1; SMN2 (0.46) SMN1; SMN2ACELMNAABCB11MEN1
SCHEMBL14374305 0.86 ACE (0.60) SMN1; SMN2ACELMNAABCB11MEN1
SCHEMBL12304830 0.86 ACE (0.60) SMN1; SMN2ACELMNAABCB11MEN1
SCHEMBL4671537 0.85 ACE (0.61) SMN1; SMN2ACELMNAABCB11MEN1
SCHEMBL4671532 0.85 ACE (0.61) SMN1; SMN2ACELMNAABCB11MEN1
SCHEMBL3780597 0.83 ACE (0.60) SMN1; SMN2ACELMNAABCB11MEN1
SCHEMBL4669921 0.83 ACE (0.60) SMN1; SMN2ACELMNAABCB11MEN1
SCHEMBL4669890 0.83 ACE (0.60) SMN1; SMN2ACELMNAABCB11MEN1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173817-B2 synthesis of substituted sulfoxides either as a single enantiomer or in an enantiomerically enriched form. Thus, 5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]thio]-1H-benzimidazole is reacted with (R)-camphorsulfonyl-5- (and 6-)methoxy-2-[(3camphorsulfonyl chloride to form a mixture HETERO DRUGS LIMITED (IN) 2012-05-08 US claimed
US-20080076930-A1 NOVEL STEREOSELECTIVE SYNTHESIS OF BENZIMIDAZOLE SULFOXIDES HETERO DRUGS LIMITED (IN) 2008-03-27 US claimed
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
US-8445678-B2 2-quinoxalinol salen compounds and uses thereof AUBURN UNIVERSITY (US) 2013-05-21 US disclosed
US-20120028362-A1 2-QUINOXALINOL SALEN COMPOUNDS AND USES THEREOF AUBURN UNIVERSITY (US) 2012-02-02 US disclosed
US-20090286968-A1 2-Quinoxalinol Salen Compounds and Uses Thereof AUBURN UNIVERSITY (US) 2009-11-19 US 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-0126986-B1 PROCESS FOR PRODUCING N-ALKYLATED DIPEPTIDES AND THEIR ESTERS HOECHST AKTIENGESELLSCHAFT (DE) 1987-08-05 EP disclosed
US-4626545-A Amino acid derivatives as enzyme inhibitors MERCK & CO., INC. (US) 1986-12-02 US disclosed
EP-0061768-B1 N-AMIDO SUBSTITUTED DIPEPTIDES USV PHARMACEUTICAL CORPORATION (US) 1986-05-14 EP disclosed
EP-0126986-A1 Process for producing N-alkylated dipeptides and their esters HOECHST AKTIENGESELLSCHAFT (DE) 1984-12-05 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 1254/4885LMNA 706/4885
US-20120028362-A1 2-QUINOXALINOL SALEN COMPOUNDS AND USES THEREOF NQO1, NQO2, SQOR SMN1; SMN2 1013/4885ACE 1254/4885LMNA 706/4885
US-20080076930-A1 NOVEL STEREOSELECTIVE SYNTHESIS OF BENZIMIDAZOLE SULFOXIDES CYP2S1, TPMT, CYP2B6 SMN1; SMN2 2181/4885ACE 2458/4885LMNA 4828/4885

“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.