Sugi Predict

Sugi Predict / Compounds / SCHEMBL1393248

SCHEMBL1393248

SCHEMBL1393248

CNCC(=O)N(C)[C@@H](CO)C(=O)N[C@@H](CS)C(=O)NCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.41
▸ GSTK1 Q9Y2Q3 1/20 0.41
▸ MAPT P10636 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ PTGS2 P35354 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ GLO1 Q04760 1/20 0.35
▸ ACE P12821 5/20 0.33
▸ MME P08473 5/20 0.33
▸ BLM P54132 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ THPO P40225 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CPA1 P15085 1/20 0.32
▸ ACE2 Q9BYF1 1/20 0.32

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
SCHEMBL1393126 0.87 ACE (0.46) MAPTPTGS2ACEMMEBLM
SCHEMBL4632742 0.73 MAPT (0.56) PTGS1GSTK1MAPTALDH1A1PTGS2
SCHEMBL18263621 0.73 MAPT (0.60) PTGS1GSTK1MAPTALDH1A1PTGS2
SCHEMBL4424322 0.73 MAPT (0.60) PTGS1GSTK1MAPTALDH1A1PTGS2
SCHEMBL4632664 0.73 PTGS1 (0.44) PTGS1GSTK1MAPTALDH1A1PTGS2
SCHEMBL1357792 0.72 PTGS1 (0.49) PTGS1GSTK1MAPTALDH1A1PTGS2
SCHEMBL30905697 0.71 PTGS1 (0.61) PTGS1GSTK1MAPTALDH1A1PTGS2
SCHEMBL19579377 0.70 PTGS1 (0.58) PTGS1GSTK1MAPTALDH1A1PTGS2
SCHEMBL4966736 0.69 PTGS1 (0.58) PTGS1GSTK1MAPTALDH1A1PTGS2
SCHEMBL4966748 0.69 PTGS1 (0.58) PTGS1GSTK1MAPTALDH1A1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130136691-A1 GASTRIN RELEASING PEPTIDE COMPOUNDS BRACCO IMAGING S.P.A. (IT) 2013-05-30 — — US disclosed
US-8444954-B2 Gastrin releasing peptide compounds BRACCO IMAGING S.P.A. (IT) 2013-05-21 — — US disclosed
US-8420053-B2 Gastrin releasing peptide compounds BRACCO IMAGING S.P.A. (IT) 2013-04-16 — — US disclosed
US-8420050-B2 Gastrin releasing peptide compounds BRACCO IMAGING S.P.A. (IT) 2013-04-16 — — US disclosed
US-20120009122-A1 GASTRIN RELEASING PEPTIDE COMPOUNDS BRACCO IMAGING S.P.A. (IT) 2012-01-12 — — US disclosed
US-20110250133-A1 GASTRIN RELEASING PEPTIDE COMPOUNDS BRACCO IMAGING S.P.A. (IT) 2011-10-13 — — US disclosed
US-7922998-B2 bombesin, derivatives and/or analogues capable of complexing metal ions, radionuclides or optical labels, for use in radiotherapy BRACCO IMAGING S.P.A. (IT) 2011-04-12 — — US disclosed
US-20110052491-A1 GASTRIN RELEASING PEPTIDE COMPOUNDS BRACCO IMAGING S.P.A. (IT) 2011-03-03 — — US disclosed
US-7850947-B2 Gastrin releasing peptide compounds BRACCO IMAGING S.P.A. (IT) 2010-12-14 — — US disclosed
US-7611692-B2 bombesin, derivatives and/or analogues capable of complexing metal ions, radionuclides or optical labels, for use in radiotherapy BRACCO IMAGING S.P.A. (IT) 2009-11-03 — — US disclosed
US-20090175786-A1 Gastrin Releasing Peptide Compounds BRACCO IMAGING S.P.A. (IT) 2009-07-09 — — US disclosed
EP-1706154-A4 IMPROVED GASTRIN RELEASING PEPTIDE COMPOUNDS BRACCO SPA (IT) 2008-11-26 — — EP disclosed
US-20080008649-A1 Gastrin Releasing Peptide Compounds BRACCO IMAGING S.P.A. (IT) 2008-01-10 — — US disclosed
WO-2007095443-A2 GASTRIN RELEASING PEPTIDE COMPOUNDS BRACCO IMAGING S.P.A. (IT) 2007-08-23 — — WO disclosed
US-20060239914-A1 Gastrin releasing peptide compounds BRACCO IMAGING S.P.A. (IT) 2006-10-26 — — US disclosed
EP-1706154-A1 IMPROVED GASTRIN RELEASING PEPTIDE COMPOUNDS Bracco Imaging, S.P.A. (IT) 2006-10-04 — — EP disclosed
US-20060018830-A1 Gastrin releasing peptide compounds BRACCO IMAGING S.P.A. (IT) 2006-01-26 — — US disclosed
WO-2005067983-A1 IMPROVED GASTRIN RELEASING PEPTIDE COMPOUNDS BRACCO IMAGING S.P.A. (IT) 2005-07-28 — — 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 (8 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-20060239914-A1 Gastrin releasing peptide compounds GRPR, GIPR, CCKBR PTGS1 1068/4885GSTK1 1507/4885MAPT 1638/4885
US-20130136691-A1 GASTRIN RELEASING PEPTIDE COMPOUNDS GRPR, GIPR, GHRHR PTGS1 2047/4885GSTK1 3525/4885MAPT 3506/4885
US-20090175786-A1 Gastrin Releasing Peptide Compounds GRPR, SSTR5, GIPR PTGS1 674/4885GSTK1 1402/4885MAPT 1159/4885
US-20080008649-A1 Gastrin Releasing Peptide Compounds GRPR, SSTR5, GIPR PTGS1 674/4885GSTK1 1402/4885MAPT 1159/4885
US-20060018830-A1 Gastrin releasing peptide compounds GRPR, GIPR, CCKBR PTGS1 1068/4885GSTK1 1507/4885MAPT 1638/4885
US-20120009122-A1 GASTRIN RELEASING PEPTIDE COMPOUNDS GRPR, GIPR, CCKBR PTGS1 1068/4885GSTK1 1507/4885MAPT 1638/4885
US-20110250133-A1 GASTRIN RELEASING PEPTIDE COMPOUNDS GRPR, GIPR, GHRHR PTGS1 2047/4885GSTK1 3525/4885MAPT 3506/4885
US-20110052491-A1 GASTRIN RELEASING PEPTIDE COMPOUNDS GRPR, GIPR, CCKBR PTGS1 662/4885GSTK1 3119/4885MAPT 3180/4885

“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.