SCHEMBL5869666

SCHEMBL5869666

CC(C)C[C@H](NC(Cc1cncn1Cc1cc(F)cc(F)c1)C(=O)O)C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.77
ACE P12821 3/20 0.77
CYP11B1 P15538 7/20 0.40
CYP11B2 P19099 7/20 0.40
GRN P28799 2/20 0.36
SORT1 Q99523 2/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
MMP1 P03956 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
FNTA P49354 3/20 0.34
FNTB P49356 3/20 0.34

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
SCHEMBL5869662 1.00 ACE2 (0.77) ACE2ACECYP11B1CYP11B2GRN
SCHEMBL5870213 1.00 ACE2 (0.77) ACE2ACECYP11B1CYP11B2GRN
SCHEMBL1691430 0.90 ACE2 (0.69) ACE2ACECYP11B1CYP11B2MMP1
SCHEMBL8249220 0.90 ACE2 (0.69) ACE2ACECYP11B1CYP11B2MMP1
SCHEMBL8254851 0.89 ACE2 (0.74) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL5869930 0.89 ACE2 (0.74) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL1690654 0.88 ACE2 (0.79) ACE2ACECYP11B1CYP11B2GRN
SCHEMBL8249394 0.88 ACE2 (0.79) ACE2ACECYP11B1CYP11B2GRN
SCHEMBL8250255 0.88 ACE2 (0.79) ACE2ACECYP11B1CYP11B2GRN
Ore-1001 SCHEMBL1656029 0.87 ACE2 (1.00) ACE2ACECYP11B1CYP11B2GRN

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 ACE2 2/4885ACE 1/4885CYP11B1 256/4885

“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.