SCHEMBL3045577

SCHEMBL3045577

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 2/20 0.42
CTSS P25774 2/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.40
ACE P12821 1/20 0.40
TSHR P16473 1/20 0.39
AKT1 P31749 1/20 0.39
REN P00797 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PAX8 Q06710 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
CYP3A4 P08684 4/20 0.38

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
SCHEMBL3045572 1.00 KLK5 (0.42) KLK5CTSSCTSLCTSBCTSK
SCHEMBL3053578 0.89 ACE (0.43) KLK5CTSSCTSLCTSBCTSK
SCHEMBL3053580 0.89 ACE (0.43) KLK5CTSSCTSLCTSBCTSK
SCHEMBL3044161 0.85 KLK5 (0.49) KLK5CTSSCTSLCTSBCTSK
SCHEMBL3044159 0.85 KLK5 (0.49) KLK5CTSSCTSLCTSBCTSK
SCHEMBL7362380 0.83 KLK5 (0.47) KLK5CTSSCTSLCTSBCTSK
SCHEMBL9657327 0.83 KLK5 (0.47) KLK5CTSSCTSLCTSBCTSK
SCHEMBL9659473 0.82 ATM (0.51) KLK5CTSSCTSLCTSBCTSK
SCHEMBL9658726 0.82 KLK5 (0.49) KLK5CTSSCTSLCTSBCTSK
SCHEMBL13390729 0.76 MAPT (0.54) KLK5CTSSCTSLCTSBCTSK

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 5 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
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
EP-1768665-A1 PEPTIDOMIMETIC INHIBITORS OF RETROVIRAL PROTEASES AND THEIR USE AS ANTIVIRALS Universita'Degli Studi di Trieste (IT) 2007-04-04 EP disclosed
WO-2005123067-A1 PEPTIDOMIMETIC INHIBITORS OF RETROVIRAL PROTEASES AND THEIR USE AS ANTIVIRALS UNIVERSITA' DEGLI STUDI DI TRIESTE (IT) 2005-12-29 WO 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 3017/4885CTSS 97/4885CTSL 18/4885

“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.