SCHEMBL452572

SCHEMBL452572

NCCOc1ccc(C(=O)O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.69
▸ MAPK1 P28482 2/20 0.61
▸ TSHR P16473 2/20 0.61
▸ TP53 P04637 1/20 0.61
▸ PLA2G4B P0C869 2/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ TAAR1 Q96RJ0 1/20 0.57
▸ USP2 O75604 1/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ ESR1 P03372 1/20 0.57
▸ CYP19A1 P11511 1/20 0.57
▸ ESR2 Q92731 1/20 0.57
▸ RARB P10826 4/20 0.56
▸ HTT P42858 1/20 0.56
▸ LTA4H P09960 1/20 0.55
▸ PLA2G2A P14555 1/20 0.55
▸ NR4A1 P22736 1/20 0.55
▸ NR4A2 P43354 1/20 0.55

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
Hydrochloric Acid SCHEMBL2234716 0.98 PKM (0.67) PKMMAPK1TSHRTP53PLA2G4B
SCHEMBL12818961 0.90 PKM (0.67) PKMMAPK1TSHRTP53PLA2G4B
SCHEMBL10126590 0.89 PKM (0.66) PKMMAPK1TSHRTP53PLA2G4B
SCHEMBL30325060 0.89 PKM (0.66) PKMMAPK1TSHRTP53PLA2G4B
Hydrochloric Acid SCHEMBL15409937 0.89 PKM (0.65) PKMMAPK1TSHRTP53PLA2G4B
SCHEMBL14384080 0.89 TP53 (0.67) PKMMAPK1TSHRTP53PLA2G4B
SCHEMBL196110 0.87 PKM (0.88) PKMMAPK1TSHRTP53PLA2G4B
Hydrochloric Acid SCHEMBL28033680 0.87 TP53 (0.65) PKMMAPK1TSHRTP53PLA2G4B
SCHEMBL19729157 0.85 RARB (0.67) PKMMAPK1TSHRTP53PLA2G4B
SCHEMBL118037 0.85 PKM (0.77) PKMMAPK1TSHRTP53PLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8357654-B2 Multimeric CD40 ligands, method for preparing same and use thereof for preparing drugs CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-01-22 — — US claimed
JP-4836455-B2 — — 2011-12-14 — — JP claimed
CN-102167728-A Improved gastrin releasing peptide compounds BRACCO IMAGING SPA 2011-08-31 — — CN claimed
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 claimed
EP-2281580-A2 Labeled gastrin releasing peptides (GRP) Bracco Imaging S.p.A (IT) 2011-02-09 — — EP claimed
US-7850947-B2 Gastrin releasing peptide compounds BRACCO IMAGING S.P.A. (IT) 2010-12-14 — — US claimed
US-20100183642-A1 NOVEL MULTIMERIC CD40 LIGANDS, METHOD FOR PREPARING SAME AND USE THEREOF FOR PREPARING DRUGS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-07-22 — — US claimed
US-20100136034-A1 NOVEL MULTIMERIC MOLECULES, A PROCESS FOR PREPARING THE SAME AND THE USE THEREOF FOR MANUFACTURING MEDICINAL DRUGS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-06-03 — — US claimed
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 claimed
EP-1828240-B1 NOVEL MULTIMERIC CD40 LIGANDS, METHOD FOR PREPARING SAME AND USE THEREOF FOR PREPARING DRUGS CENTRE NAT RECH SCIENT (FR) 2009-07-29 — — EP claimed
US-7226577-B2 Gastrin releasing peptide compounds BRACCO IMAGING, S. P. A. (IT) 2007-06-05 — — US claimed
WO-2007002500-A1 GASTRIN RELEASING PEPTIDE COMPOUNDS BRACCO IMAGING S.P.A. (IT) 2007-01-04 — — WO claimed
US-20060239914-A1 Gastrin releasing peptide compounds BRACCO IMAGING S.P.A. (IT) 2006-10-26 — — US claimed
US-20060239923-A1 Gastrin releasing peptide compounds BRACCO IMAGING S.P.A. (IT) 2006-10-26 — — US claimed
CN-1738650-A Improved gastrin releasing peptide compounds BRACCO IMAGING SPA (IT) 2006-02-22 — — CN claimed
US-20060018830-A1 Gastrin releasing peptide compounds BRACCO IMAGING S.P.A. (IT) 2006-01-26 — — US claimed
EP-1585549-A2 IMPROVED GASTRIN RELEASING PEPTIDE COMPOUNDS Bracco Imaging S.p.A. (IT) 2005-10-19 — — EP claimed
US-20040253225-A1 bombesin, derivatives and/or analogues capable of complexing metal ions, radionuclides or optical labels, for use in radiotherapy BRACCO IMAGING S.P.A. (IT) 2004-12-16 — — US claimed
WO-2004065407-A2 IMPROVED GASTRIN RELEASING PEPTIDE COMPOUNDS BRACCO IMAGING S.P.A. (IT) 2004-08-05 — — WO claimed
US-20040136906-A1 Gastrin releasing peptide compounds BRACCO IMAGING S.P.A. (IT) 2004-07-15 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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 PKM 3198/4885MAPK1 3495/4885TSHR 136/4885
US-20100183642-A1 NOVEL MULTIMERIC CD40 LIGANDS, METHOD FOR PREPARING SAME AND USE THEREOF FOR PREPARING DRUGS CD40, CD40LG, TNFSF10 PKM 1850/4885MAPK1 2829/4885TSHR 510/4885
US-20040253225-A1 bombesin, derivatives and/or analogues capable of complexing metal ions, radionuclides or optical labels, for use in radiotherapy GRPR, MLNR, NPBWR1 PKM 3994/4885MAPK1 2221/4885TSHR 160/4885
US-20060239923-A1 Gastrin releasing peptide compounds GRPR, GIPR, CCKBR PKM 1756/4885MAPK1 2747/4885TSHR 138/4885
US-20060018830-A1 Gastrin releasing peptide compounds GRPR, GIPR, CCKBR PKM 3198/4885MAPK1 3495/4885TSHR 136/4885
US-20100136034-A1 NOVEL MULTIMERIC MOLECULES, A PROCESS FOR PREPARING THE SAME AND THE USE THEREOF FOR MANUFACTURING MEDICINAL DRUGS TNFRSF1A, TNFRSF9, CD40 PKM 3030/4885MAPK1 2253/4885TSHR 321/4885
US-20040136906-A1 Gastrin releasing peptide compounds GRPR, GIPR, MLNR PKM 3977/4885MAPK1 2145/4885TSHR 136/4885

“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.

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