SCHEMBL8435650

SCHEMBL8435650

CC(C)CC(NC(Cc1cncn1Cc1cc(I)cc(I)c1)C(=O)OC1CCCC1)C(=O)OC1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.53
ACE P12821 3/20 0.53
NPR3 P17342 1/20 0.36
CYP11B1 P15538 6/20 0.33
CYP11B2 P19099 6/20 0.33
MAPK14 Q16539 2/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
AGTR2 P50052 1/20 0.33
CYP19A1 P11511 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MMP2 P08253 2/20 0.31
MMP9 P14780 2/20 0.31
ANPEP P15144 2/20 0.31
LTA4H P09960 1/20 0.31
LAP3 P28838 1/20 0.31
NPEPPS P55786 1/20 0.31

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
SCHEMBL8431392 0.96 ACE2 (0.60) ACE2ACENPR3CYP11B1CYP11B2
SCHEMBL8431689 0.96 ACE2 (0.60) ACE2ACENPR3CYP11B1CYP11B2
SCHEMBL5869909 0.85 ACE2 (0.75) ACE2ACENPR3CYP11B1CYP11B2
SCHEMBL5869907 0.85 ACE2 (0.75) ACE2ACENPR3CYP11B1CYP11B2
SCHEMBL5870347 0.85 ACE2 (0.75) ACE2ACENPR3CYP11B1CYP11B2
SCHEMBL8429969 0.85 ACE2 (0.58) ACE2ACECYP11B1CYP11B2
SCHEMBL8429967 0.81 ACE2 (0.66) ACE2ACECYP11B1CYP11B2
SCHEMBL8429976 0.81 ACE2 (0.66) ACE2ACECYP11B1CYP11B2
SCHEMBL8437196 0.81 ACE2 (0.53) ACE2ACECYP11B1CYP11B2
SCHEMBL8430312 0.80 ACE2 (0.66) ACE2ACECYP11B1CYP11B2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885NPR3 496/4885

“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.