SCHEMBL6783111

SCHEMBL6783111

C=CC(=O)N1CCC[C@@H]1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.43
SRC P12931 1/20 0.41
ROCK2 O75116 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.38
FKBP1A P62942 4/20 0.38
EPHX2 P34913 1/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 1/20 0.37
CASP3 P42574 1/20 0.37

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
SCHEMBL6783120 1.00 HSD17B10 (0.43) HSD17B10SRCROCK2SMN1; SMN2NPC1
SCHEMBL22152560 0.91 HRH3 (0.35) HSD17B10SRCROCK2FKBP1ACASP3
SCHEMBL28649304 0.91 HRH3 (0.35) HSD17B10SRCROCK2FKBP1ACASP3
SCHEMBL11450602 0.83 HSD17B10 (0.40) HSD17B10ROCK2SMN1; SMN2NPC1FKBP1A
SCHEMBL11450603 0.83 HSD17B10 (0.40) HSD17B10ROCK2SMN1; SMN2NPC1FKBP1A
SCHEMBL9707029 0.83 POLB (0.52) SRCSMN1; SMN2FKBP1ALMNAPOLB
SCHEMBL2848350 0.83 POLB (0.52) SRCSMN1; SMN2FKBP1ALMNAPOLB
SCHEMBL10594491 0.83 POLB (0.52) SRCSMN1; SMN2FKBP1ALMNAPOLB
SCHEMBL10667535 0.81 HSD17B10 (0.47) HSD17B10ROCK2SMN1; SMN2NPC1FKBP1A
SCHEMBL7886209 0.81 HSD17B10 (0.47) HSD17B10ROCK2SMN1; SMN2NPC1FKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 HSD17B10 1112/4885SRC 2756/4885ROCK2 1579/4885

“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.