SCHEMBL6876159

SCHEMBL6876159

CCOC(=O)C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.68
PSEN1 P49768 3/20 0.52
PSEN2 P49810 3/20 0.52
APH1B Q8WW43 3/20 0.52
NCSTN Q92542 3/20 0.52
APH1A Q96BI3 3/20 0.52
PSENEN Q9NZ42 3/20 0.52
TSHR P16473 1/20 0.52
REN P00797 4/20 0.52
APP P05067 1/20 0.52
ATM Q13315 1/20 0.50

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
SCHEMBL10606303 1.00 KLK5 (0.68) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL6653213 1.00 KLK5 (0.68) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL9482833 0.89 KLK5 (0.72) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL9833378 0.89 KLK5 (0.72) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL7435516 0.89 KLK5 (0.60) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL7638374 0.89 KLK5 (0.60) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL3046202 0.87 KLK5 (0.63) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL6873021 0.87 KLK5 (0.71) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL8787243 0.87 KLK5 (0.71) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL9815894 0.87 KLK5 (0.71) KLK5PSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120258960-A1 NOVEL MULTIFUNCTIONAL PEPTIDASE INHIBITORS, ESPECIALLY FOR MEDICAL USE IMTM GMBH (DE) 2012-10-11 US disclosed
US-20120258960-A1 NOVEL MULTIFUNCTIONAL PEPTIDASE INHIBITORS, ESPECIALLY FOR MEDICAL USE IMTM GMBH (DE) 2012-10-11 US disclosed
WO-2011026781-A1 NOVEL MULTIFUNCTIONAL PEPTIDASE INHIBITORS, ESPECIALLY FOR MEDICAL USE IMTM GMBH (DE) 2011-03-10 WO disclosed
EP-2292589-A1 Novel multifunctional peptidase inhibitors, especially for medical use IMTM GmbH (DE) 2011-03-09 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-20120258960-A1 NOVEL MULTIFUNCTIONAL PEPTIDASE INHIBITORS, ESPECIALLY FOR MEDICAL USE PEPD, CTSC, SERPINB1 KLK5 386/4885PSEN1 567/4885PSEN2 1116/4885

“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.