SCHEMBL8437797

SCHEMBL8437797

CCCCOC(=O)[C@H](CC(C)C)N[C@@H](Cc1ccnn1Cc1cc(Cl)cc(Cl)c1)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.44
ACE P12821 3/20 0.44
TAS1R3 Q7RTX0 3/20 0.35
TAS1R1 Q7RTX1 3/20 0.35
AGTR2 P50052 6/20 0.34
AGTR1 P30556 1/20 0.34
NOS3 P29474 3/20 0.34
NOS1 P29475 3/20 0.34
NOS2 P35228 3/20 0.34
CNR1 P21554 1/20 0.33
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2B6 P20813 1/20 0.33
ANPEP P15144 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL8249828 0.86 ACE2 (0.46) ACE2ACENOS3NOS1NOS2
SCHEMBL8437493 0.81 ACE2 (0.40) ACE2ACETAS1R3TAS1R1AGTR2
SCHEMBL5869638 0.80 ACE2 (0.65) ACE2ACEGRNSORT1ALDH1A1
SCHEMBL8254262 0.80 ACE2 (0.65) ACE2ACEGRNSORT1ALDH1A1
SCHEMBL5870002 0.76 ACE2 (0.78) ACE2ACEAGTR2AGTR1GRN
SCHEMBL5869723 0.76 ACE2 (0.78) ACE2ACEAGTR2AGTR1GRN
SCHEMBL8256051 0.76 ACE2 (0.78) ACE2ACEAGTR2AGTR1GRN
SCHEMBL5869998 0.76 ACE2 (0.78) ACE2ACEAGTR2AGTR1GRN
SCHEMBL8437070 0.76 ACE2 (0.78) ACE2ACEAGTR2AGTR1GRN
SCHEMBL8429970 0.75 ACE2 (0.62) ACE2ACEAGTR2AGTR1

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 1/4885TAS1R3 4635/4885

“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.