SCHEMBL5869686

SCHEMBL5869686

COC(=O)C(Cc1cccc(O)c1)N[C@@H](CC(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.50
CAPN1 P07384 1/20 0.48
NLRP3 Q96P20 1/20 0.47
CTSK P43235 3/20 0.46
CA12 O43570 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CTSL P07711 1/20 0.46
CTSS P25774 1/20 0.46
BIRC2 Q13490 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL5869457 1.00 ANPEP (0.50) ANPEPCAPN1NLRP3CTSKCA12
SCHEMBL5869470 1.00 ANPEP (0.50) ANPEPCAPN1NLRP3CTSKCA12
SCHEMBL5869690 1.00 ANPEP (0.50) ANPEPCAPN1NLRP3CTSKCA12
SCHEMBL5869462 1.00 ANPEP (0.50) ANPEPCAPN1NLRP3CTSKCA12
SCHEMBL5869300 1.00 ANPEP (0.50) ANPEPCAPN1NLRP3CTSKCA12
SCHEMBL5870019 0.92 CTSK (0.47) CTSKCTSLCTSSPOLB
SCHEMBL5870021 0.92 CTSK (0.47) CTSKCTSLCTSSPOLB
SCHEMBL5870015 0.92 CTSK (0.47) CTSKCTSLCTSSPOLB
SCHEMBL5870290 0.90 ANPEP (0.49) ANPEPCAPN1CTSKCA12CA2
SCHEMBL5870287 0.90 ANPEP (0.49) ANPEPCAPN1CTSKCA12CA2

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 118/4885CAPN1 1360/4885NLRP3 4562/4885

“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.