SCHEMBL5838743

SCHEMBL5838743

CC(C)C[C@@H](C[C@H](O)[C@@H](N)Cc1ccccc1)N(C=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.38
ANPEP P15144 3/20 0.38
LAP3 P28838 4/20 0.37
RNPEP Q9H4A4 2/20 0.37
DNPEP Q9ULA0 2/20 0.37
SPPL2A Q8TCT8 1/20 0.37
REN P00797 2/20 0.37
PSEN1 P49768 3/20 0.36
PSEN2 P49810 3/20 0.36
APH1B Q8WW43 3/20 0.36
NCSTN Q92542 3/20 0.36
APH1A Q96BI3 3/20 0.36
PSENEN Q9NZ42 3/20 0.36
SLC15A1 P46059 1/20 0.36
LNPEP Q9UIQ6 1/20 0.36
APP P05067 1/20 0.36
GPR88 Q9GZN0 1/20 0.36

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
SCHEMBL28438381 0.92 CSNK1E (0.40) CSNK1EANPEPLAP3RNPEPDNPEP
SCHEMBL6931771 0.77 SLC15A1 (0.39) CSNK1EANPEPLAP3RNPEPDNPEP
SCHEMBL4729192 0.76 OPRK1 (0.40)
SCHEMBL6400372 0.76 OPRK1 (0.40)
SCHEMBL4895988 0.73 OPRK1 (0.38)
Hydrochloric Acid SCHEMBL5839457 0.71 CSNK1E (0.53) CSNK1EANPEPLAP3RNPEPDNPEP
SCHEMBL28233244 0.71 CYP1A2 (0.41)
SCHEMBL893379 0.70 CSNK1E (0.44) CSNK1EANPEPLAP3RNPEPDNPEP
SCHEMBL6165008 0.70 TAAR1 (0.38) LAP3
SCHEMBL8827814 0.70 TAAR1 (0.38)

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-7132420-B2 Aspartic protease inhibitors THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2006-11-07 US disclosed
EP-1140846-B1 ASPARTIC PROTEASE INHIBITORS US GOV HEALTH & HUMAN SERV (US) 2006-04-05 EP disclosed
US-20050090546-A1 Aspartic protease inhibitors GOVERNMENT OF THE USA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2005-04-28 US disclosed
US-6613764-B1 Compounds such as N,N-dibenzylphenylalanine benzyl ester, used as enzyme inhibitors; prophylaxis of lymphadenopathy associated virus, cancer and malaria THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2003-09-02 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 (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-20050090546-A1 Aspartic protease inhibitors DPP7, SENP7, DNPEP CSNK1E 338/4885ANPEP 18/4885LAP3 198/4885

“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.