SCHEMBL5869730

SCHEMBL5869730

CCOC(=O)[C@H](Cc1ccc(O)cc1)N[C@@H](CC(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.51
BACE1 P56817 1/20 0.50
ACE P12821 2/20 0.48
CTSK P43235 4/20 0.48
CTSL P07711 1/20 0.48
HSD17B10 Q99714 1/20 0.47
TACR1 P25103 1/20 0.47
CAPN1 P07384 2/20 0.47
CTSB P07858 1/20 0.47

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
SCHEMBL5869736 1.00 FOLH1 (0.51) FOLH1BACE1ACECTSKCTSL
SCHEMBL5869726 1.00 FOLH1 (0.51) FOLH1BACE1ACECTSKCTSL
SCHEMBL5870079 0.93 CTSK (0.48) CTSKCTSLHSD17B10TACR1CAPN1
SCHEMBL5870083 0.93 CTSK (0.48) CTSKCTSLHSD17B10TACR1CAPN1
SCHEMBL5870077 0.93 CTSK (0.48) CTSKCTSLHSD17B10TACR1CAPN1
SCHEMBL8248870 0.92 ANPEP (0.55) FOLH1ACECAPN1
SCHEMBL5869701 0.90 CTSK (0.52) ACECTSKCTSLHSD17B10TACR1
SCHEMBL5869693 0.90 CTSK (0.52) ACECTSKCTSLHSD17B10TACR1
SCHEMBL5869698 0.90 CTSK (0.52) ACECTSKCTSLHSD17B10TACR1
SCHEMBL5870015 0.89 CTSK (0.47) CTSKCTSLHSD17B10TACR1CTSB

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 FOLH1 229/4885BACE1 610/4885ACE 1/4885

“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.