SCHEMBL742949

SCHEMBL742949

CC(C)(C)OC(=O)N1C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@H](C(=O)O)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.46
USP30 Q70CQ3 1/20 0.46
TLR2 O60603 2/20 0.43
TLR1 Q15399 2/20 0.43
MDM2 Q00987 1/20 0.42
KMT2A Q03164 2/20 0.41
ADAM17 P78536 1/20 0.40
F10 P00742 1/20 0.40
NAMPT P43490 1/20 0.39
EPHX2 P34913 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
MMP10 P09238 1/20 0.39
MMP8 P22894 1/20 0.39
MMP12 P39900 1/20 0.39
TACR1 P25103 1/20 0.39
IDO1 P14902 1/20 0.39

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
SCHEMBL6344562 1.00 BACE1 (0.46) BACE1USP30TLR2TLR1MDM2
SCHEMBL7205505 0.92 BACE1 (0.45) BACE1USP30TLR2TLR1KMT2A
SCHEMBL6353989 0.92 BACE1 (0.45) BACE1USP30TLR2TLR1KMT2A
SCHEMBL21319696 0.89 BACE1 (0.46) BACE1USP30TLR2TLR1MDM2
SCHEMBL12164667 0.88 BACE1 (0.44) BACE1USP30TLR2TLR1MDM2
SCHEMBL6349287 0.87 BACE1 (0.45) BACE1USP30TLR2TLR1MDM2
SCHEMBL25355246 0.86 BACE1 (0.46) BACE1USP30MDM2KMT2ANAMPT
SCHEMBL14678450 0.85 BACE1 (0.46) BACE1USP30TLR2TLR1MDM2
SCHEMBL29569298 0.85 BACE1 (0.46) BACE1USP30TLR2TLR1MDM2
SCHEMBL148055 0.84 BACE1 (0.42) BACE1USP30TLR2TLR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772450-B2 Beta-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-07-08 US disclosed
US-20130023644-A1 BETA-AMINO ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION 2013-01-24 US disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
US-7304165-B2 Oligomers and polymers of di-substituted cyclic imino carboxylic acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-12-04 US disclosed
US-20070154882-A1 Beta-polypeptides that inhibit cytomegalovirus infection NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-07-05 US disclosed
US-20070123709-A1 Beta-amino acids NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-05-31 US 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-20070123709-A1 Beta-amino acids BCAT1, MARCKS, YWHAZ BACE1 441/4885USP30 367/4885TLR2 4190/4885
US-20130023644-A1 BETA-AMINO ACIDS BCAT1, MARCKS, YWHAZ BACE1 441/4885USP30 367/4885TLR2 4190/4885

“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.