SCHEMBL5544779

SCHEMBL5544779

O=C(O)[C@H]1CCCN1C(=O)CNc1ccc(NCC(=O)N2CCC[C@@H]2C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.55
ALOX12 P18054 1/20 0.55
KMT2A Q03164 1/20 0.55
ACE P12821 8/20 0.51
ACE2 Q9BYF1 3/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
DPP4 P27487 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
ITGB3 P05106 1/20 0.46
ITGB1 P05556 1/20 0.46
ITGAV P06756 1/20 0.46
ITGA5 P08648 1/20 0.46
ITGA4 P13612 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
SCHEMBL6792962 1.00 THRB (0.55) THRBALOX12KMT2AACEACE2
SCHEMBL6438383 0.94 ACE (0.53) THRBALOX12KMT2AACEACE2
SCHEMBL13250828 0.93 THRB (0.49) THRBALOX12KMT2AACEACE2
Trifluoroacetic Acid SCHEMBL6786573 0.92 THRB (0.51) THRBALOX12KMT2AACEACE2
SCHEMBL6436570 0.90 ACE (0.49) THRBALOX12KMT2AACEACE2
SCHEMBL31710128 0.90 DGAT1 (0.53) THRBALOX12KMT2AACEACE2
SCHEMBL7298709 0.90 THRB (0.46) THRBALOX12KMT2AACEACE2
SCHEMBL6436770 0.85 DPP4 (0.46) ACEACE2ALDH1A1SMN1; SMN2DPP4
SCHEMBL6786583 0.85 THRB (0.45) THRBALOX12KMT2AACEACE2
SCHEMBL13071509 0.83 DPP4 (0.57) ACEDPP4

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
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-0915088-A1 D-Proline derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-05-12 EP claimed
US-8173694-B2 Therapeutic agent PENTRAXIN THERAPEUTICS LIMITED (GB) 2012-05-08 US disclosed
US-8173694-B2 Therapeutic agent PENTRAXIN THERAPEUTICS LIMITED (GB) 2012-05-08 US disclosed
US-20100173969-A1 THERAPEUTIC AGENT PENTRAXIN THERAPEUTICS LTD (GB) 2010-07-08 US disclosed
US-20100173969-A1 THERAPEUTIC AGENT PENTRAXIN THERAPEUTICS LTD (GB) 2010-07-08 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 THRB 2043/4885ALOX12 724/4885KMT2A 2513/4885
US-20100173969-A1 THERAPEUTIC AGENT SERPINA6, SERPINB1, NEFM THRB 3071/4885ALOX12 2223/4885KMT2A 4612/4885

“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.