SCHEMBL4446205

SCHEMBL4446205

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

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 1/20 0.55
MAPK1 P28482 2/20 0.51
ALDH1A1 P00352 2/20 0.41
THRB P10828 1/20 0.41
ESR1 P03372 2/20 0.40
PGR P06401 2/20 0.40
HTR1A P08908 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
AR P10275 1/20 0.40
CHRM1 P11229 1/20 0.40
TBXA2R P21731 1/20 0.40
PTGS1 P23219 1/20 0.40
ADRA1A P35348 1/20 0.40
KCNH2 Q12809 1/20 0.40
SELP P16109 5/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
LGALS3 P17931 1/20 0.30
MMP12 P39900 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
Water SCHEMBL10911152 0.99 NOD2 (0.54) NOD2MAPK1ALDH1A1THRBESR1
SCHEMBL4452390 0.94 NOD2 (0.55) NOD2MAPK1ALDH1A1THRBESR1
SCHEMBL3229330 0.93 NOD2 (0.57) NOD2MAPK1ALDH1A1THRBESR1
SCHEMBL342953 0.93 NOD2 (0.57) NOD2MAPK1ALDH1A1THRBESR1
SCHEMBL5270133 0.93 NOD2 (0.57) NOD2MAPK1ALDH1A1THRBESR1
Water SCHEMBL769017 0.93 NOD2 (0.57) NOD2MAPK1ALDH1A1THRBESR1
SCHEMBL8750743 0.92 NOD2 (0.46) NOD2MAPK1ALDH1A1THRBESR1
Alanine SCHEMBL11120060 0.92 NOD2 (0.56) NOD2MAPK1ALDH1A1THRBESR1
SCHEMBL4450131 0.91 NOD2 (0.55) NOD2MAPK1ALDH1A1THRBESR1
SCHEMBL11289575 0.91 NOD2 (0.55) NOD2MAPK1ALDH1A1THRBESR1

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 48 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-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
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-4684625-A Method for enhancing the anti-infective activity of muramyldipeptide derivatives SYNTEX (U.S.A.) INC. (US) 1987-08-04 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
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
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 disclosed
US-20090191226-A2 ADJUVANT FORMULATION COMPRISING A SUBMICRON OIL DROPLET EMULSION NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-07-30 US disclosed
US-20040057958-A1 Immunogenicity-enhancing carriers and compositions thereof and methods of using the same CELL THERAPEUTICS, INC. 2004-03-25 US disclosed
US-4606918-A IMMUNOSTIMULATING GLYCOPEPTIDE; EMULSIFICATION SYNTEX (U.S.A.) INC. (US) 1986-08-19 US disclosed
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 disclosed
EP-0026746-B1 COMBINATORY COMPOSITIONS FOR USE IN A METHOD FOR ENHANCING THE ACTIVITY OF ANTIBIOTICS, ANTIBIOTIC PREPARATIONS HAVING ENHANCED ACTIVITY AND PROCESS FOR THEIR PRODUCTION CIBA-GEIGY AG (CH) 1985-04-10 EP disclosed
EP-0135376-A2 Polyoxypropylene-polyoxyethylene block polymer based adjuvants and vaccines using them SYNTEX (U.S.A.) INC. (US) 1985-03-27 EP disclosed
EP-0026746-A1 Combinatory compositions for use in a method for enhancing the activity of antibiotics, antibiotic preparations having enhanced activity and process for their production CIBA-GEIGY AG (CH) 1981-04-08 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 (2 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 2538/4885ALDH1A1 4159/4885
US-20090191226-A2 ADJUVANT FORMULATION COMPRISING A SUBMICRON OIL DROPLET EMULSION MYD88, CD14, IAPP NOD2 38/4885MAPK1 2705/4885ALDH1A1 4273/4885

“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.