SCHEMBL5963673

SCHEMBL5963673

CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)NC(=O)[C@@H](S)C1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.48
MAPT P10636 4/20 0.47
TP53 P04637 2/20 0.47
LMNA P02545 1/20 0.47
THRB P10828 1/20 0.47
MMP2 P08253 1/20 0.46
MMP3 P08254 1/20 0.46
TACR1 P25103 7/20 0.45
GHSR Q92847 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
SCHEMBL5963752 0.90 ACE (0.60) ACE
SCHEMBL5963197 0.82 MAPT (0.47) ACEMAPTTP53LMNATHRB
SCHEMBL5963481 0.74 MAPT (0.45) ACEMAPTTP53LMNATHRB
SCHEMBL3185689 0.73 TACR1 (0.74) MAPTTP53LMNATHRBMMP2
SCHEMBL850315 0.73 TACR1 (0.74) MAPTTP53LMNATHRBMMP2
SCHEMBL31236325 0.72 TACR1 (0.77) ACEMAPTTP53LMNATHRB
SCHEMBL17949554 0.72 TACR1 (0.77) ACEMAPTTP53LMNATHRB
SCHEMBL5963440 0.72 ACE (0.42) ACEMMP3
SCHEMBL16383333 0.72 TACR1 (0.66) ACEMAPTTP53TACR1
SCHEMBL5246171 0.72 TACR1 (0.66) ACEMAPTTP53TACR1

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 6 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

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 4/4885MAPT 1408/4885TP53 2741/4885
US-20040266698-A1 Pyrane derivatives as both ace-and nep-inhibitors ECE1, AGTR1, ACE ACE 3/4885MAPT 1490/4885TP53 3933/4885

“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.