SCHEMBL4452390

SCHEMBL4452390

CC(=O)N[C@@H]1[C@@H](OC(C)CN(C(=O)[C@@H](N)CO)[C@H](CCC(=O)O)C(N)=O)[C@H](O)[C@@H](CO)O[C@@H]1O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 1/20 0.55
MAPK1 P28482 1/20 0.52
ESR1 P03372 2/20 0.39
PGR P06401 2/20 0.39
HTR1A P08908 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
AR P10275 1/20 0.39
CHRM1 P11229 1/20 0.39
TBXA2R P21731 1/20 0.39
PTGS1 P23219 1/20 0.39
ADRA1A P35348 1/20 0.39
KCNH2 Q12809 1/20 0.39
ALDH1A1 P00352 2/20 0.38
THRB P10828 1/20 0.38
SELP P16109 5/20 0.36
MAG P20916 1/20 0.31
LGALS3 P17931 1/20 0.30
MMP12 P39900 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL4446205 0.94 NOD2 (0.55) NOD2MAPK1ESR1PGRHTR1A
SCHEMBL342953 0.94 NOD2 (0.57) NOD2MAPK1ESR1PGRHTR1A
SCHEMBL3229330 0.94 NOD2 (0.57) NOD2MAPK1ESR1PGRHTR1A
SCHEMBL5270133 0.94 NOD2 (0.57) NOD2MAPK1ESR1PGRHTR1A
Water SCHEMBL10911152 0.94 NOD2 (0.54) NOD2MAPK1ESR1PGRHTR1A
Water SCHEMBL769017 0.93 NOD2 (0.57) NOD2MAPK1ESR1PGRHTR1A
Alanine SCHEMBL11120060 0.93 NOD2 (0.56) NOD2MAPK1ESR1PGRHTR1A
SCHEMBL4450131 0.92 NOD2 (0.55) NOD2MAPK1ESR1PGRHTR1A
SCHEMBL8539918 0.91 NOD2 (0.55) NOD2MAPK1ESR1PGRHTR1A
SCHEMBL61295 0.91 NOD2 (0.55) NOD2MAPK1ESR1PGRHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9884084-B2 Bone loss preventing and bone regeneration or bone formation promoting pharmaceutical composition comprising muramyl dipeptide SNU R&DB FOUNDATION (KR) 2018-02-06 US claimed
US-20150141352-A1 BONE LOSS PREVENTING AND BONE REGENERATION OR BONE FORMATION PROMOTING PHARMACEUTICAL COMPOSITION COMPRISING MURAMYL DIPEPTIDE SNU R&DB FOUNDATION (KR) 2015-05-21 US claimed
EP-1390053-A2 HCG FORMULATION Acevedo, Hernan F. (US) 2004-02-25 EP claimed
WO-2002085311-A2 HCG FORMULATION ACEVEDO HERNAN F (US) 2002-10-31 WO claimed
EP-0513861-B1 Vaccine adjuvant comprising a tetra-polyol SYNTEX INC (US) 1997-02-26 EP claimed
US-5376369-A Improved immunological response SYNTEX (U.S.A.) INC. (US) 1994-12-27 US claimed
EP-0315153-B1 Vaccine adjuvant SYNTEX INC (US) 1994-05-11 EP claimed
EP-0513861-A1 Vaccine adjuvant comprising a tetra-polyol SYNTEX (U.S.A.) INC. (US) 1992-11-19 EP claimed
EP-0135376-B1 POLYOXYPROPYLENE-POLYOXYETHYLENE BLOCK POLYMER BASED ADJUVANTS AND VACCINES USING THEM SYNTEX (U.S.A.) INC. (US) 1990-11-07 EP claimed
US-4933179-A IMMUNOLOGY SYNTEX (U.S.A.) INC. (US) 1990-06-12 US claimed
US-4857318-A Bordetella bronchiseptica pilus subunit protein vaccine effective against bordetella pertussis SYNTEX (U.S.A.) INC. (US) 1989-08-15 US claimed
EP-0315153-A2 Vaccine adjuvant SYNTEX (U.S.A.) INC. (US) 1989-05-10 EP claimed
US-4770874-A EMULSIFYING AN ANTIGEN WITH AN IMMUNOSTIMULATING GLYCOPEPTIDE, POLYETHER BLOCK COPOLYMER, GLYCOL ETHER-BASED SURFACTANT, BUFFERED SALINE SOLUTION; VACINE SYNTEX (U.S.A.) INC. (US) 1988-09-13 US claimed
US-4684625-A Method for enhancing the anti-infective activity of muramyldipeptide derivatives SYNTEX (U.S.A.) INC. (US) 1987-08-04 US claimed
US-4606918-A IMMUNOSTIMULATING GLYCOPEPTIDE; EMULSIFICATION SYNTEX (U.S.A.) INC. (US) 1986-08-19 US claimed
US-4522811-A Serial injection of muramyldipeptides and liposomes enhances the anti-infective activity of muramyldipeptides SYNTEX (U.S.A.) INC. (US) 1985-06-11 US claimed
EP-0135376-A2 Polyoxypropylene-polyoxyethylene block polymer based adjuvants and vaccines using them SYNTEX (U.S.A.) INC. (US) 1985-03-27 EP claimed
US-9884084-B2 Bone loss preventing and bone regeneration or bone formation promoting pharmaceutical composition comprising muramyl dipeptide SNU R&DB FOUNDATION (KR) 2018-02-06 US disclosed
EP-0038750-A1 Immunologically active dipeptidyl 4-0-, 6-0-acyl-2-amino-2-deoxy-D-glucose derivatives and methods for their preparation MERCK & CO. INC. (US) 1981-10-28 EP disclosed
EP-0021367-A1 Muramyldipeptide derivatives, process for preparing said compounds and pharmaceutical compositions containing said compounds DAIICHI SEIYAKU CO., LTD. (JP) 1981-01-07 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-20150141352-A1 BONE LOSS PREVENTING AND BONE REGENERATION OR BONE FORMATION PROMOTING PHARMACEUTICAL COMPOSITION COMPRISING MURAMYL DIPEPTIDE MYADM, DPP9, DPP3 NOD2 250/4885MAPK1 2538/4885ESR1 4587/4885

“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.