SCHEMBL2448832

SCHEMBL2448832

O=C(O)C1CCCN1C(=O)Cc1cc(O)c(CC(=O)N2CCCC2C(=O)O)cc1O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.51
THRB P10828 1/20 0.45
ALOX12 P18054 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MVD P53602 2/20 0.44
CA2 P00918 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43

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
SCHEMBL2448827 1.00 ACE (0.51) ACETHRBALOX12KMT2AALDH1A1
SCHEMBL6039476 1.00 ACE (0.51) ACETHRBALOX12KMT2AALDH1A1
SCHEMBL5540025 0.93 ACE (0.46) ACETHRBALOX12KMT2AALDH1A1
SCHEMBL6221760 0.81 KDM4E (0.49) ACEALDH1A1SMN1; SMN2CA2CHRM2
SCHEMBL6221764 0.81 KDM4E (0.49) ACEALDH1A1SMN1; SMN2CA2CHRM2
SCHEMBL9538232 0.81 ALDH1A1 (0.48) ACEKMT2AALDH1A1
SCHEMBL6039762 0.80 ACE (0.55) ACETHRBALOX12KMT2AALDH1A1
SCHEMBL3183667 0.80 ACE (0.55) ACETHRBALOX12KMT2AALDH1A1
SCHEMBL6786426 0.80 ACE (0.55) ACETHRBALOX12KMT2AALDH1A1
SCHEMBL3183657 0.80 ACE (0.55) ACETHRBALOX12KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 1460/4885THRB 2043/4885ALOX12 724/4885
US-20080249003-A1 Compounds Inhibiting the Binding of Sap for Treating Osteoarthritis SAP30BP, SYVN1, SERPINB1 ACE 1249/4885THRB 1995/4885ALOX12 3042/4885

“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.