SCHEMBL5963614

SCHEMBL5963614

CCOC(=O)[C@H](CCc1ccccc1)NC(=O)C(C)(C)NC(=O)[C@@H](S)C1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP3A4 P08684 2/20 0.40
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
REN P00797 2/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
ABCB11 O95342 1/20 0.38
AGTR2 P50052 1/20 0.38
PDE3A Q14432 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 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
SCHEMBL5963219 0.91 ACE (0.42) ACECTSL
SCHEMBL5963440 0.91 ACE (0.42) ACECTSL
SCHEMBL3363745 0.89 CTSS (0.43) CTSL
SCHEMBL5963738 0.88 ACE (0.40) ACELMNAMEN1KMT2ACYP3A4
SCHEMBL3362555 0.81 PPARA (0.46) ACECTSLCTSB
SCHEMBL5963673 0.80 ACE (0.48) ACELMNA
SCHEMBL3361131 0.77 CTSS (0.41) CTSL
SCHEMBL5963699 0.75 ACE (0.47) ACEKMT2A
SCHEMBL5963752 0.72 ACE (0.60) ACEALOX15
SCHEMBL5963174 0.71 DGAT1 (0.43) ACELMNA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1430045-B1 PYRANE DERIVATIVES AS BOTH ACE- AND NEP-INHIBITORS NOVARTIS AG (CH) 2006-10-11 EP disclosed
US-20060194742-A1 Pyrane derivatives as both ACE- and NEP-inhibitors FINK CYNTHIA A 2006-08-31 US disclosed
US-7071169-B2 Pyrane derivatives as both ACE-and NEP-inhibitors NOVARTIS AG (CH) 2006-07-04 US disclosed
US-20040266698-A1 Pyrane derivatives as both ace-and nep-inhibitors FINK CYNTHIA ANNE (US) 2004-12-30 US disclosed
EP-1430045-A1 PYRANE DERIVATIVES AS BOTH ACE- AND NEP-INHIBITORS Novartis AG (CH) 2004-06-23 EP disclosed
WO-2003027091-A1 PYRANE DERIVATIVES AS BOTH ACE- AND NEP- INHIBITORS NOVARTIS AG (CH) 2003-04-03 WO disclosed
WO-2003027091-A1 PYRANE DERIVATIVES AS BOTH ACE- AND NEP- INHIBITORS NOVARTIS AG (CH) 2003-04-03 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 (2 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-20060194742-A1 Pyrane derivatives as both ACE- and NEP-inhibitors ECE1, ECE2, AGTR1 ACE 4/4885LMNA 1277/4885MEN1 3851/4885
US-20040266698-A1 Pyrane derivatives as both ace-and nep-inhibitors ECE1, AGTR1, ACE ACE 3/4885LMNA 1122/4885MEN1 3297/4885

“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.