SCHEMBL3036976

SCHEMBL3036976

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@@H](O)[C@@H]1CCCN1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.51
BACE1 P56817 2/20 0.49
REN P00797 3/20 0.47
ATM Q13315 1/20 0.45
CTSL P07711 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
ACE P12821 2/20 0.44
CTSS P25774 2/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43

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
SCHEMBL8281497 1.00 KLK5 (0.51) KLK5BACE1RENATMCTSL
SCHEMBL13390560 1.00 KLK5 (0.51) KLK5BACE1RENATMCTSL
SCHEMBL7274993 0.94 KLK5 (0.55) KLK5BACE1RENATMCTSL
SCHEMBL3049388 0.85 BACE1 (0.52) BACE1
SCHEMBL3046920 0.85 BACE1 (0.52) BACE1
SCHEMBL3042249 0.85 BACE1 (0.52) BACE1
SCHEMBL3042030 0.85 BACE1 (0.52) BACE1
SCHEMBL6444857 0.83 KLK5 (0.63) KLK5ATMCTSLACECTSS
SCHEMBL6446193 0.83 KLK5 (0.63) KLK5ATMCTSLACECTSS
SCHEMBL6445261 0.83 KLK5 (0.63) KLK5ATMCTSLACECTSS

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-7691818-B2 Peptidomimetic inhibitors of retroviral proteases and their use as antivirals Universita' Degli Studi Di Treiste (IT) 2010-04-06 US disclosed
US-7691818-B2 Peptidomimetic inhibitors of retroviral proteases and their use as antivirals Universita' Degli Studi Di Treiste (IT) 2010-04-06 US disclosed
EP-1768665-B1 PEPTIDOMIMETIC INHIBITORS OF HIV PROTEASE UNIV DEGLI STUDI TRIESTE (IT) 2008-11-05 EP disclosed
US-20070207968-A1 Peptidomimetic Inhibitors Of Retroviral Proteases And Their Use As Antivirals UNIVERSITA' DEGLI STUDI DI TRIESTE (IT) 2007-09-06 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-20070207968-A1 Peptidomimetic Inhibitors Of Retroviral Proteases And Their Use As Antivirals PREP, PEPD, DNPEP KLK5 3017/4885BACE1 73/4885REN 872/4885

“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.