SCHEMBL2443468

SCHEMBL2443468

C[C@H](CSSC[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)O)C(=O)N1CCC[C@@H]1C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.70
REN P00797 4/20 0.70
KDM4E B2RXH2 1/20 0.70
F2 P00734 1/20 0.70
LMNA P02545 1/20 0.70
LTA4H P09960 1/20 0.70
MAPT P10636 1/20 0.70
PEPD P12955 1/20 0.70
ALOX15 P16050 1/20 0.70
PTGS1 P23219 1/20 0.70
HTR2A P28223 1/20 0.70
PTGS2 P35354 1/20 0.70
HRH1 P35367 1/20 0.70
THPO P40225 1/20 0.70
PMP22 Q01453 1/20 0.70
HSD17B10 Q99714 1/20 0.70
ACE2 Q9BYF1 1/20 0.70
RAB9A P51151 1/20 0.52

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
SCHEMBL11212417 1.00 ACE (0.70) ACERENKDM4EF2LMNA
SCHEMBL6783588 1.00 ACE (0.70) ACERENKDM4EF2LMNA
SCHEMBL8094713 1.00 ACE (0.70) ACERENKDM4EF2LMNA
SCHEMBL683117 1.00 ACE (0.70) ACERENKDM4EF2LMNA
SCHEMBL5556548 1.00 ACE (0.70) ACERENKDM4EF2LMNA
SCHEMBL18158948 0.96 ACE (0.65) ACERENKDM4EF2LMNA
SCHEMBL18158950 0.96 ACE (0.65) ACERENKDM4EF2LMNA
SCHEMBL10935359 0.92 ACE (0.60) ACERENKDM4EF2LMNA
SCHEMBL4385014 0.91 ACE (0.67) ACERENKDM4EF2LMNA
SCHEMBL4385017 0.91 ACE (0.67) ACERENKDM4EF2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915088-B1 D-Proline derivatives HOFFMANN LA ROCHE (CH) 2002-09-18 EP claimed
EP-0915088-A1 D-Proline derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-05-12 EP claimed
JP-11209343-A None JP disclosed
EP-1633345-B1 COMPOUNDS INHIBITING THE BINDING OF SAP FOR TREATING OSTEOARTHRITIS PENTRAXIN THERAPEUTICS LTD (GB) 2011-09-21 EP disclosed
US-7659299-B2 Substituted or unsubstituted D-proline or stereoanalogue (R)-1-[6(R)-2-Carboxy-pyrrolidin-1-yl]-6-oxo-hexanoyl]pyrrolidine-2-carboxylic acid; inhibit serum amyloid P (SAP) ligand binding activity or depleting SAP from the plasma of the subject; avoid potentially harmful pro-inflammatory effects PENTRAXIN THERAPEUTICS LIMITED (GB) 2010-02-09 US disclosed
US-20080249003-A1 Compounds Inhibiting the Binding of Sap for Treating Osteoarthritis PENTRAXIN THERAPEUTICS LIMITED (GB) 2008-10-09 US disclosed
US-6740760-B2 SUCH AS 1-((S)-3-MERCAPTO-2-METHYL-PROPIONYL)-(R)-PYRROL-IDINE-2-CARBOXYLIC ACID FOR TREATING DISEASES ASSOCIATED WITH AMYLOIDOSIS (ALZHEIMER'S DISEASE, DIABETES, AND FAMILIAL AMYLOID POLYNEUROPATHY) HOFFMANN-LA ROCHE INC. 2004-05-25 US disclosed
US-20030100770-A1 Such as 1-((S)-3-mercapto-2-methyl-propionyl)-(R)-pyrrol-idine-2-carboxylic acid for treating diseases associated with amyloidosis (Alzheimer's disease, diabetes, and familial amyloid polyneuropathy) PENTRAXIN THERAPEUTICS LTD. (GB) 2003-05-29 US disclosed
US-6512001-B1 To treat diseases associated with amyloidosis, such as Alzheimer's disease HOFFMANN-LA ROCHE INC. 2003-01-28 US disclosed
EP-0915088-B1 D-Proline derivatives HOFFMANN LA ROCHE (CH) 2002-09-18 EP disclosed
US-6262089-B1 USING THESE COMPOUNDS TO TREAT DISEASES ASSOCIATED WITH AMYLOIDOSIS, SUCH AS ALZHEIMER'S DISEASE, MATURITY ONSET DIABETES MELLITUS, FAMILIAL AMYLOID POLYNEUROPATHY, SCRAPIE, AND KREUZFELD-JACOB DISEASE. HOFFMAN-LA ROCHE INC. 2001-07-17 US disclosed
US-6103910-A FOR TREATMENT OF DISEASES ASSOCIATED WITH AMYLOIDOSIS, SUCH AS ALZHEIMER'S DISEASE, DIABETES MELLITUS, FAMILIAL AMYLOID POLYNEUROPATHY, SCRAPIE, AND KREUZFELD-JACOB DISEASE HOFFMANN-LA ROCHE INC. (US) 2000-08-15 US disclosed
JP-H11209343-A D-PROLINE DERIVATIVE F HOFFMANN LA ROCHE AG 1999-08-03 JP disclosed
EP-0915088-A1 D-Proline derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-05-12 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-20030100770-A1 Such as 1-((S)-3-mercapto-2-methyl-propionyl)-(R)-pyrrol-idine-2-carboxylic acid for treating diseases associated with amyloidosis (Alzheimer's disease, diabetes, and familial amyloid polyneuropathy) PSEN1, PSEN2, IAPP ACE 1460/4885REN 166/4885KDM4E 1764/4885
US-20080249003-A1 Compounds Inhibiting the Binding of Sap for Treating Osteoarthritis SAP30BP, SYVN1, SERPINB1 ACE 1249/4885REN 3332/4885KDM4E 4742/4885

“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.