SCHEMBL5963300

SCHEMBL5963300

O=C(NC1(C(=O)N[C@@H](CCc2ccccc2)C(=O)O)CCCC1)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSB P07858 7/20 0.57
CTSL P07711 6/20 0.57
CTSS P25774 5/20 0.57
CTSK P43235 4/20 0.52
ECE1 P42892 1/20 0.47
DGAT1 O75907 1/20 0.46
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
FOLH1 Q04609 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
SCHEMBL5963186 0.90 CTSB (0.57) CTSBCTSLCTSSCTSKDGAT1
SCHEMBL1849406 0.87 CTSS (0.59) CTSBCTSLCTSSCTSKECE1
SCHEMBL27964688 0.86 CTSS (0.58) CTSBCTSLCTSSCTSKECE1
SCHEMBL1852485 0.86 CTSS (0.58) CTSBCTSLCTSSCTSKECE1
SCHEMBL27753302 0.85 ECE1 (0.62) CTSBCTSLCTSSCTSKECE1
SCHEMBL1850128 0.85 ECE1 (0.62) CTSBCTSLCTSSCTSKECE1
SCHEMBL1844711 0.81 CTSL (0.57) CTSBCTSLCTSSCTSKECE1
SCHEMBL1701581 0.80 CTSL (0.65) CTSBCTSLCTSSCTSKPPARG
SCHEMBL1796250 0.80 CTSL (0.65) CTSBCTSLCTSSCTSKPPARG
SCHEMBL2487005 0.80 CTSL (0.65) CTSBCTSLCTSSCTSKPPARG

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 CTSB 549/4885CTSL 545/4885CTSS 494/4885
US-20040266698-A1 Pyrane derivatives as both ace-and nep-inhibitors ECE1, AGTR1, ACE CTSB 790/4885CTSL 618/4885CTSS 655/4885

“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.