SCHEMBL2473764

SCHEMBL2473764

O=C(O)C1CCCN1C(=O)Cc1ccc(CC(=O)N2CCCC2C(=O)O)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CYP1A2 P05177 1/20 0.51
ACE P12821 7/20 0.50
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50
CYP2C19 P33261 1/20 0.50
UTS2R Q9UKP6 1/20 0.48
ITGB3 P05106 1/20 0.47
ITGB1 P05556 1/20 0.47
ITGAV P06756 1/20 0.47
ITGA5 P08648 1/20 0.47
ITGA4 P13612 1/20 0.47
ACE2 Q9BYF1 1/20 0.46

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
SCHEMBL2473759 1.00 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2CYP1A2ACECHRM2
SCHEMBL6039757 1.00 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2CYP1A2ACECHRM2
SCHEMBL25994667 0.89 UTS2R (0.61) ALDH1A1SMN1; SMN2CYP1A2ACECHRM2
SCHEMBL12480383 0.84 CYP2C19 (0.69) ALDH1A1SMN1; SMN2CYP2C19UTS2R
SCHEMBL13837136 0.84 CYP2C19 (0.69) ALDH1A1SMN1; SMN2CYP2C19UTS2R
SCHEMBL474618 0.84 ACE (0.60) ALDH1A1SMN1; SMN2ACECHRM2CHRM4
SCHEMBL474742 0.84 ACE (0.60) ALDH1A1SMN1; SMN2ACECHRM2CHRM4
SCHEMBL6782754 0.82 FKBP1A (0.60) ACE
SCHEMBL6782758 0.82 FKBP1A (0.60) ACE
SCHEMBL28650436 0.82 ACE (0.58) ALDH1A1SMN1; SMN2ACECHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 ALDH1A1 175/4885SMN1; SMN2 21/4885CYP1A2 796/4885
US-20080249003-A1 Compounds Inhibiting the Binding of Sap for Treating Osteoarthritis SAP30BP, SYVN1, SERPINB1 ALDH1A1 2288/4885SMN1; SMN2 2618/4885CYP1A2 4320/4885

“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.