SCHEMBL5869936

SCHEMBL5869936

CCCC(NC(Cc1cncn1Cc1cc(F)cc(F)c1)C(=O)O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.59
ACE P12821 3/20 0.59
CYP11B1 P15538 3/20 0.40
CYP11B2 P19099 3/20 0.40
PSEN1 P49768 12/20 0.37
PSEN2 P49810 12/20 0.37
APH1B Q8WW43 12/20 0.37
NCSTN Q92542 12/20 0.37
APH1A Q96BI3 12/20 0.37
PSENEN Q9NZ42 12/20 0.37
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35

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
SCHEMBL7222176 0.87 ACE2 (0.77) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL5869662 0.87 ACE2 (0.77) ACE2ACECYP11B1CYP11B2PSEN1
SCHEMBL5870213 0.87 ACE2 (0.77) ACE2ACECYP11B1CYP11B2PSEN1
SCHEMBL5869666 0.87 ACE2 (0.77) ACE2ACECYP11B1CYP11B2PSEN1
SCHEMBL6834243 0.83 ACE2 (0.57) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL5869812 0.80 ACE (0.58) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL8249070 0.80 ACE (0.58) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL8249406 0.78 ACE2 (0.48) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL8249220 0.78 ACE2 (0.69) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL1691430 0.78 ACE2 (0.69) ACE2ACECYP11B1CYP11B2FNTA

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 3 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 claimed
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.