SCHEMBL5869683

SCHEMBL5869683

COC(=O)[C@H](Cc1cccc(Cc2ccc(C)cc2)c1)N[C@@H](CC(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.47
CTSL P07711 2/20 0.47
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CTSS P25774 1/20 0.46
ANPEP P15144 1/20 0.45
POLB P06746 1/20 0.45
TACR1 P25103 1/20 0.44
CAPN1 P07384 1/20 0.43
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
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
S1PR4 O95977 1/20 0.41
S1PR1 P21453 1/20 0.41

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
SCHEMBL5869689 1.00 CTSK (0.47) CTSKCTSLATML3MBTL1CTSS
SCHEMBL5869681 1.00 CTSK (0.47) CTSKCTSLATML3MBTL1CTSS
SCHEMBL5870285 0.95 ANPEP (0.49) CTSKCTSLCTSSANPEPPOLB
SCHEMBL5870290 0.95 ANPEP (0.49) CTSKCTSLCTSSANPEPPOLB
SCHEMBL5870287 0.95 ANPEP (0.49) CTSKCTSLCTSSANPEPPOLB
SCHEMBL5869855 0.89 CTSK (0.46) CTSKCTSLATML3MBTL1CTSS
SCHEMBL5869849 0.89 CTSK (0.46) CTSKCTSLATML3MBTL1CTSS
SCHEMBL5869851 0.89 CTSK (0.46) CTSKCTSLATML3MBTL1CTSS
SCHEMBL5869377 0.88 ANPEP (0.45) CTSKCTSLCTSSANPEPCAPN1
SCHEMBL5869373 0.88 ANPEP (0.45) CTSKCTSLCTSSANPEPCAPN1

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 CTSK 541/4885CTSL 911/4885ATM 3350/4885

“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.