SCHEMBL3513773

SCHEMBL3513773

CC(=O)N[C@@H]([C@H](O)[C@H](O)C(=O)O)[C@@H](C=O)NC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
NFKB1 P19838 1/20 0.32
PTGS2 P35354 1/20 0.32
THPO P40225 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 2/20 0.31
CYP2C9 P11712 1/20 0.31
PDE4A P27815 1/20 0.31

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
SCHEMBL7640293 1.00 ALDH1A1 (0.34) ALDH1A1KDM4EMAPTTHRBALOX15
SCHEMBL3344516 1.00 ALDH1A1 (0.34) ALDH1A1KDM4EMAPTTHRBALOX15
SCHEMBL7153508 1.00 ALDH1A1 (0.34) ALDH1A1KDM4EMAPTTHRBALOX15
SCHEMBL28900822 1.00 ALDH1A1 (0.34) ALDH1A1KDM4EMAPTTHRBALOX15
SCHEMBL7150013 1.00 ALDH1A1 (0.34) ALDH1A1KDM4EMAPTTHRBALOX15
SCHEMBL28992556 0.87 ALDH1A1 (0.37) ALDH1A1KDM4EMAPTTHRBALOX15
SCHEMBL23933730 0.85 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTTHRBALOX15
SCHEMBL3489558 0.85 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTTHRBALOX15
SCHEMBL15547653 0.85 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTTHRBALOX15
SCHEMBL1311637 0.85 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTTHRBALOX15

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
EP-3596110-B1 BORDETELLA VACCINES COMPRISING LPS WITH REDUCED REACTOGENICITY INTRAVACC B V (NL) 2024-09-04 EP disclosed
CN-111819184-B Synthetic oligosaccharide derivatives as vaccine against bordetella pertussis 芬兰疫苗研究所 2024-01-12 CN disclosed
US-11291713-B2 Bordetella vaccines comprising LPS with reduced reactogenicity INTRAVACC B.V. (NL) 2022-04-05 US disclosed
US-20200085933-A1 Bordetella vaccines comprising LPS with reduced reactogenicity De Staat der Nederlanden, vert. door de minister van VWS, Ministerie van Volksgezondheid, Welzijn en (NL) 2020-03-19 US disclosed
EP-3003389-B1 BORDETELLA PERTUSSIS LOS-DERIVED OLIGOSACCHARIDE WITH PERTUSSIS TOXIN GLYCOCONJUGATE AND ITS APPLICATION IN THE PROPHYLAXIS AND TREATMENT OF INFECTIONS CAUSED BY BORDETELLA PERTUSSIS PORT POLSKI OSRODEK ROZWOJU TECH SP Z O O (PL) 2019-02-20 EP disclosed
WO-2018167061-A1 BORDETELLA VACCINES COMPRISING LPS WITH REDUCED REACTOGENICITY DE STAAT DER NEDERLANDEN, VERT. DOOR DE MINISTER VAN VWS, MINISTERIE VAN VOLKSGEZONDHEID, WELZIJN EN SPORT (NL) 2018-09-20 WO disclosed
US-9878051-B2 Bordetella pertussis LOS-derived oligosaccharide with pertussis toxin glycoconjugate and its application in the prophylaxis and treatment of infections caused by Bordetella pertussis WROCLAWSKIE CENTRUM BADAN EIT+ SP. Z O.O. (PL) 2018-01-30 US disclosed
US-9616139-B2 Conjugating amines THE GENERAL HOSPITAL CORPORATION (US) 2017-04-11 US disclosed
US-20160114051-A1 BORDETELLA PERTUSSIS LOS-DERIVED OLIGOSACCHARIDE WITH PERTUSSIS TOXIN GLYCOCONJUGATE AND ITS APPLICATION IN THE PROPHYLAXIS AND TREATMENT OF INFECTIONS CAUSED BY BORDETELLA PERTUSSIS SIEC BADAWCZA LUKASIEWICZ- PORT POLSKI OSRODEK ROZWOJU TECHNOLOGII (PL) 2016-04-28 US disclosed
EP-3003389-A1 BORDETELLA PERTUSSIS LOS-DERIVED OLIGOSACCHARIDE WITH PERTUSSIS TOXIN GLYCOCONJUGATE AND ITS APPLICATION IN THE PROPHYLAXIS AND TREATMENT OF INFECTIONS CAUSED BY BORDETELLA PERTUSSIS Wroclawskie Centrum Badan EIT + Sp. z o.o. (PL) 2016-04-13 EP disclosed
US-9296995-B2 Vaccines against Bordetella pertussis based on LPS glycosyltransferase mutants DE STAAT DER NEDERLANDEN, VERT. DOOR DE MINISTER VAN VWS (NL) 2016-03-29 US disclosed
US-20150031863-A1 CONJUGATING AMINES THE GENERAL HOSPITAL CORPORATION (US) 2015-01-29 US disclosed
WO-2014195881-A1 BORDETELLA PERTUSSIS LOS-DERIVED OLIGOSACCHARIDE WITH PERTUSSIS TOXIN GLYCOCONJUGATE AND ITS APPLICATION IN THE PROPHYLAXIS AND TREATMENT OF INFECTIONS CAUSED BY BORDETELLA PERTUSSIS WROCŁAWSKIE CENTRUM BADAŃ EIT+ SP. Z O.O. (PL) 2014-12-11 WO disclosed
EP-2134743-B1 IMPROVED VACCINES AGAINST BORDETELLA PERTUSSIS BASED ON LPS GLYCOSYLTRANSFERASE MUTANTS NEDERLANDEN STAAT (NL) 2012-09-05 EP disclosed
US-20100291153-A1 VACCINES AGAINST BORDETELLA PERTUSSIS BASED ON LPS GLYCOSYLTRANSFERASE MUTANTS DE STAAT DER NEDERLANDEN, VERT. DOOR DE MINISTER VAN VWS (NL) 2010-11-18 US disclosed
EP-2134743-A2 IMPROVED VACCINES AGAINST BORDETELLA PERTUSSIS BASED ON LPS GLYCOSYLTRANSFERASE MUTANTS De Staat der Nederlanden, vert. door de minister van VWS (NL) 2009-12-23 EP disclosed
WO-2008118015-A2 IMPROVED VACCINES AGAINST BORDETELLA PERTUSSIS BASED ON LPS GLYCOSYLTRANSFERASE MUTANTS DE STAAT DER NEDERLANDEN, VERT. DOOR DE MINISTER VAN VWS (NL) 2008-10-02 WO disclosed
EP-1285003-B1 USE OF A SECONDARY CELL WALL POLYMER OF PROCARYOTIC MICROORGANISMS NANO S BIOTECHNOLOGIE GMBH (AT) 2004-09-08 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 (4 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-20160114051-A1 BORDETELLA PERTUSSIS LOS-DERIVED OLIGOSACCHARIDE WITH PERTUSSIS TOXIN GLYCOCONJUGATE AND ITS APPLICATION IN THE PROPHYLAXIS AND TREATMENT OF INFECTIONS CAUSED BY BORDETELLA PERTUSSIS STT3A, STT3B, ST3GAL3 ALDH1A1 4466/4885KDM4E 4655/4885MAPT 4468/4885
US-20200085933-A1 Bordetella vaccines comprising LPS with reduced reactogenicity LCT, LTA, ENPP2 ALDH1A1 4084/4885KDM4E 1779/4885MAPT 4643/4885
US-11291713-B2 Bordetella vaccines comprising LPS with reduced reactogenicity LCT, LTA, ENPP2 ALDH1A1 4084/4885KDM4E 1779/4885MAPT 4643/4885
US-20150031863-A1 CONJUGATING AMINES CD47, CD58, CD44 ALDH1A1 3665/4885KDM4E 1011/4885MAPT 581/4885

“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.