SCHEMBL5707671

SCHEMBL5707671

CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(O)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.60
SYK P43405 1/20 0.56
KLK7 P49862 2/20 0.51
KLK5 Q9Y337 2/20 0.51
FOLH1 Q04609 4/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.48
SIRT1 Q96EB6 1/20 0.48
HTRA1 Q92743 1/20 0.48
ABCB1 P08183 1/20 0.48
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.48
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47

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
SCHEMBL19345774 1.00 MAPT (0.60) MAPTSYKKLK7KLK5FOLH1
SCHEMBL3881957 0.93 MAPT (0.59) MAPTSYKKLK7KLK5FOLH1
SCHEMBL21110411 0.90 MAPT (0.60) MAPTSYKKLK7KLK5FOLH1
SCHEMBL5800651 0.89 MAPT (0.55) MAPTSYKKLK7KLK5FOLH1
SCHEMBL13430813 0.89 MAPT (0.55) MAPTSYKKLK7KLK5L3MBTL1
SCHEMBL8261384 0.88 MAPT (0.54) MAPTSYKKLK7KLK5FOLH1
SCHEMBL8261840 0.88 MAPT (0.54) MAPTSYKKLK7KLK5FOLH1
SCHEMBL29458730 0.88 MAPT (0.63) MAPTSYKKLK7KLK5FOLH1
SCHEMBL5800362 0.87 MAPT (0.57) MAPTSYKKLK7KLK5FOLH1
SCHEMBL21109884 0.87 MAPT (0.59) MAPTSYKKLK7KLK5FOLH1

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
WO-2017156071-A1 CYCLIC KETO-AMIDE COMPOUNDS AS CALPAIN MODULATORS AND METHODS OF PRODUCTION AND USE THEREOF BLADE THERAPEUTICS, INC. (US) 2017-09-14 WO disclosed
US-8293915-B2 Compounds and compositions as channel activating protease inhibitors IRM LLC (BM) 2012-10-23 US disclosed
US-20100056756-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2010-03-04 US disclosed
EP-1445262-B1 PEPTIDE DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2006-08-30 EP disclosed
US-7067476-B2 Peptide derivative, and pharmaceutically acceptable salt thereof, process for producing the same, and use thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2006-06-27 US disclosed
US-20040214780-A1 Peptide derivative, and pharmaceutically acceptable salt thereof, process for producing the same, and use thereof KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2004-10-28 US disclosed
EP-1445262-A1 PEPTIDE DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2004-08-11 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-20100056756-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS PRSS1, PRSS8, PRSS2 MAPT 1916/4885SYK 4691/4885KLK7 636/4885
US-20040214780-A1 Peptide derivative, and pharmaceutically acceptable salt thereof, process for producing the same, and use thereof ARGLU1, NGLY1, ARG1 MAPT 4576/4885SYK 249/4885KLK7 157/4885

“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.