SCHEMBL5373898

SCHEMBL5373898

Cc1ccnc(C)c1C(O)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
BACE1 P56817 7/20 0.46
KLK5 Q9Y337 2/20 0.45
APP P05067 1/20 0.44
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
CA2 P00918 1/20 0.44
CYP3A4 P08684 1/20 0.43
CTSS P25774 2/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43
REN P00797 1/20 0.42

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
SCHEMBL5373893 0.83 CYP3A4 (0.51) ATMBACE1KLK5APPPSEN1
SCHEMBL3799999 0.82 ATM (0.60) ATMBACE1KLK5APPPSEN1
SCHEMBL6010398 0.82 ATM (0.60) ATMBACE1KLK5APPPSEN1
SCHEMBL3799997 0.82 ATM (0.60) ATMBACE1KLK5APPPSEN1
SCHEMBL7301095 0.82 ATM (0.62) ATMBACE1KLK5APPPSEN1
SCHEMBL7270247 0.82 ATM (0.62) ATMBACE1KLK5APPPSEN1
SCHEMBL7305946 0.82 ATM (0.62) ATMBACE1KLK5APPPSEN1
SCHEMBL7299571 0.82 ATM (0.62) ATMBACE1KLK5APPPSEN1
SCHEMBL5373767 0.81 CCR1 (0.41) BACE1APPPSEN1PSEN2APH1B
SCHEMBL3800024 0.80 CYP3A4 (0.56) ATMBACE1KLK5APPPSEN1

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-7279582-B2 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 2007-10-09 US disclosed
US-20030100755-A1 Retroviral protease inhibiting compounds ABBVIE INC. 2003-05-29 US disclosed
US-6284767-B1 AIDS; MIXTURE WITH ENZYME INHIBITOR ABBOTT LABORATORIES 2001-09-04 US disclosed
US-5914332-A NOVEL COMPOUNDS FOR USE AS HIV PROTEASE INHIBITORS IN TREATING HIV AND AIDS ABBOTT LABORATORIES (US) 1999-06-22 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-20030100755-A1 Retroviral protease inhibiting compounds SERPINB1, PREP, TMPRSS15 ATM 4659/4885BACE1 56/4885KLK5 1558/4885

“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.