SCHEMBL3053580

SCHEMBL3053580

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.43
KLK5 Q9Y337 3/20 0.43
ATM Q13315 1/20 0.41
CTSS P25774 2/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSK P43235 1/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.39
PKM P14618 2/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 1/20 0.39
ALOX15 P16050 1/20 0.39
XBP1 P17861 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL3053578 1.00 ACE (0.43) ACEKLK5ATMCTSSCTSL
SCHEMBL3045577 0.89 KLK5 (0.42) ACEKLK5ATMCTSSCTSL
SCHEMBL3045572 0.89 KLK5 (0.42) ACEKLK5ATMCTSSCTSL
SCHEMBL9657327 0.84 KLK5 (0.47) ACEKLK5ATMCTSSCTSL
SCHEMBL7362380 0.84 KLK5 (0.47) ACEKLK5ATMCTSSCTSL
SCHEMBL3046771 0.84 KLK5 (0.51) ACEKLK5ATMCTSSCTSL
SCHEMBL3053640 0.84 KLK5 (0.51) ACEKLK5ATMCTSSCTSL
SCHEMBL3046768 0.84 KLK5 (0.51) ACEKLK5ATMCTSSCTSL
SCHEMBL3053637 0.84 KLK5 (0.51) ACEKLK5ATMCTSSCTSL
SCHEMBL9658726 0.83 KLK5 (0.49) ACEKLK5ATMCTSSCTSL

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 ACE 41/4885KLK5 3017/4885ATM 3387/4885

“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.