SCHEMBL4826685

SCHEMBL4826685

O=C(O)C(c1cccnc1)N1C(=O)CCC1=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.45
CYP11B2 P19099 3/20 0.44
CYP19A1 P11511 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CFTR P13569 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
GOPC Q9HD26 1/20 0.42
SLC1A2 P43004 1/20 0.42
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
TBXAS1 P24557 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
KCNN4 O15554 1/20 0.39
KCNA5 P22460 1/20 0.39

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
SCHEMBL9632134 0.82 LMNA (0.53) SLC1A2ALDH1A1PKML3MBTL1
SCHEMBL3466786 0.77 LMNA (0.66) SMN1; SMN2SLC1A2ALDH1A1KCNN4KCNA5
SCHEMBL3468042 0.75 KCNA5 (0.56) SMN1; SMN2SLC1A2ALDH1A1KCNA5
SCHEMBL16967414 0.74 KCNA5 (0.55) SLC6A2SLC6A4SLC6A3SLC1A2ALDH1A1
SCHEMBL22207710 0.71 ALDH1A1 (0.41) CYP11B1CYP11B2CYP19A1SLC1A2ALDH1A1
SCHEMBL1533618 0.71 SRC (0.58) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL9398017 0.70 ALDH1A1 (0.48) CYP11B1CYP11B2CYP19A1SMN1; SMN2ALDH1A1
SCHEMBL7260309 0.70 SMN1; SMN2 (0.55) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL2684159 0.70 SMN1; SMN2 (0.60) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL31404936 0.70 SMN1; SMN2 (0.60) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8697604-B2 Labeling agents for mass spectrometry comprising tertiary amines ELECTROPHORETICS LIMITED (GB) 2014-04-15 US disclosed
EP-1606623-B1 LABELLING AGENTS FOR MASS SPECTROMETRY COMPRISING TERTIARY AMINES ELECTROPHORETICS LTD (GB) 2013-05-22 EP disclosed
US-7371514-B2 Serial derivatization of peptides for de novo sequencing using tandem mass spectrometry AGILENT TECHNOLOGIES, INC. (US) 2008-05-13 US disclosed
US-20070023628-A1 Labeling agents for mass spectrometry comprising tertiary amines ELECTROPHORETICS LIMITED (GB) 2007-02-01 US disclosed
US-20060229234-A1 Peptide factor STEVENSON ROBERT D 2006-10-12 US disclosed
US-20060014210-A1 Serial derivatization of peptides for de novo sequencing using tandem mass spectrometry AGILENT TECHNOLOGIES, INC. 2006-01-19 US disclosed
US-20060014293-A1 Lock mass ions for use with derivatized peptides for de novo sequencing using tandem mass spectrometry AGILENT TECHNOLOGIES, INC. 2006-01-19 US disclosed
EP-1617223-A2 Serial derivatization of peptides for \"de Novo\" sequencing using tandem mass spectrometry Agilent Technologies, Inc. (US) 2006-01-18 EP disclosed
EP-1617224-A1 De novo sequencing using tandem mass spectrometry Agilent Technologies, Inc. (US) 2006-01-18 EP disclosed
EP-1606623-A2 LABELLING AGENTS FOR MASS SPECTROMETRY COMPRISING TERTIARY AMINES Xzillion GmbH & CO.KG (DE) 2005-12-21 EP disclosed
US-20040213772-A1 Peptide factor STEVENSON ROBERT DUNCAN 2004-10-28 US disclosed
WO-2004086050-A2 LABELLING AGENTS FOR MASS SPECTROMETRY COMPRISING TERTIARY AMINES XZILLION GMBH & CO. KG (DE) 2004-10-07 WO disclosed
WO-2003104813-A2 CHARACTERISING POLYPEPTIDES XZILLION GMBH & CO. KG (DE) 2003-12-18 WO disclosed
US-6602519-B1 Peptide factor used as replacement to steroid therapy; neutrophil migration stimulating activity; treating conditions associated with an inflammatory response of septic shock THE UNIVERSITY COURT OF THE UNIVERSITY OF GLASGOW (GB) 2003-08-05 US disclosed
EP-1094833-B1 OXIDIZED THYMOSIN BETA 4 UNIV GLASGOW (GB) 2003-02-12 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 (1 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-20060014210-A1 Serial derivatization of peptides for de novo sequencing using tandem mass spectrometry PTMS, DNPEP, SRMS CYP11B1 3890/4885CYP11B2 4063/4885CYP19A1 3249/4885

“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.