SCHEMBL5869482

SCHEMBL5869482

CC(C)CC(NC(Cc1cncn1Cc1ccc(Br)cc1)C(=O)O)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.74
ACE P12821 3/20 0.74
CYP11B1 P15538 9/20 0.53
CYP11B2 P19099 9/20 0.53
PKM P14618 1/20 0.43
FPR2 P25090 1/20 0.42
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
CTSK P43235 2/20 0.39
NTSR1 P30989 1/20 0.39

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
SCHEMBL5870574 1.00 ACE2 (0.74) ACE2ACECYP11B1CYP11B2PKM
SCHEMBL5870580 1.00 ACE2 (0.74) ACE2ACECYP11B1CYP11B2PKM
SCHEMBL8258457 0.95 ACE2 (0.67) ACE2ACECYP11B1CYP11B2PKM
SCHEMBL1690702 0.90 ACE2 (0.76) ACE2ACECYP11B1CYP11B2
SCHEMBL8249920 0.90 ACE2 (0.76) ACE2ACECYP11B1CYP11B2
SCHEMBL8249359 0.90 ACE2 (0.82) ACE2ACECYP11B1CYP11B2
SCHEMBL1658960 0.90 ACE2 (0.82) ACE2ACECYP11B1CYP11B2
SCHEMBL8248569 0.90 ACE2 (0.78) ACE2ACECYP11B1CYP11B2
SCHEMBL5870208 0.90 ACE2 (0.78) ACE2ACECYP11B1CYP11B2
SCHEMBL5681866 0.89 ACE2 (0.74) ACE2ACECYP11B1CYP11B2FPR2

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 6 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-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US claimed
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO 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
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO 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.