SCHEMBL8249183

SCHEMBL8249183

CC(C)CC(N[C@@H](Cc1cncn1Cc1cccc(F)c1F)C(=O)O)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.61
ACE P12821 4/20 0.61
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
NTSR1 P30989 2/20 0.34
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
TP53 P04637 1/20 0.33
PSMB5 P28074 1/20 0.33
NTRK1 P04629 1/20 0.33
P2RX7 Q99572 1/20 0.32
FOLH1 Q04609 1/20 0.32

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
SCHEMBL1690704 1.00 ACE2 (0.61) ACE2ACECYP11B1CYP11B2NTSR1
SCHEMBL5869596 0.92 ACE2 (0.63) ACE2ACECYP11B1CYP11B2
SCHEMBL8249141 0.85 ACE2 (0.64) ACE2ACECYP11B1CYP11B2NTSR1
SCHEMBL1656622 0.85 ACE2 (0.64) ACE2ACECYP11B1CYP11B2NTSR1
SCHEMBL5870153 0.85 ACE2 (0.64) ACE2ACECYP11B1CYP11B2NTSR1
SCHEMBL8254552 0.84 ACE2 (0.61) ACE2ACENTSR1PSMB5
SCHEMBL1690694 0.84 ACE2 (0.66) ACE2ACECYP11B1CYP11B2NTSR1
SCHEMBL8249187 0.84 ACE2 (0.66) ACE2ACECYP11B1CYP11B2NTSR1
SCHEMBL1658782 0.84 ACE2 (0.61) ACE2ACENTSR1PSMB5
SCHEMBL5869963 0.84 ACE2 (0.68) 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 2 patents. 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
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.