SCHEMBL5869781

SCHEMBL5869781

COC(=O)C(Cc1cccc(-c2cc(OC)cc(OC)c2)c1)N[C@@H](CC(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.45
CTSK P43235 5/20 0.44
CTSL P07711 3/20 0.44
CTSS P25774 3/20 0.44
CAPN1 P07384 1/20 0.43
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MMP1 P03956 4/20 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
SCHEMBL5869779 1.00 ANPEP (0.45) ANPEPCTSKCTSLCTSSCAPN1
SCHEMBL5870379 0.88 ANPEP (0.45) ANPEPCTSKCTSLCTSSCAPN1
SCHEMBL5870383 0.88 ANPEP (0.45) ANPEPCTSKCTSLCTSSCAPN1
SCHEMBL5870377 0.88 ANPEP (0.45) ANPEPCTSKCTSLCTSSCAPN1
SCHEMBL5869849 0.87 CTSK (0.46) ANPEPCTSKCTSLCTSSCAPN1
SCHEMBL5869851 0.87 CTSK (0.46) ANPEPCTSKCTSLCTSSCAPN1
SCHEMBL5869855 0.87 CTSK (0.46) ANPEPCTSKCTSLCTSSCAPN1
SCHEMBL5869690 0.85 ANPEP (0.50) ANPEPCTSKCTSLCTSSCAPN1
SCHEMBL5869462 0.85 ANPEP (0.50) ANPEPCTSKCTSLCTSSCAPN1
SCHEMBL5869470 0.85 ANPEP (0.50) ANPEPCTSKCTSLCTSSCAPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7045532-B2 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-16 US disclosed
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US 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-20040082496-A1 ACE-2 modulating compounds and methods of use thereof ACE, ACE2, AGTR2 ANPEP 118/4885CTSK 541/4885CTSL 911/4885

“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.