SCHEMBL8250239

SCHEMBL8250239

CC(C)CC(N[C@@H](Cc1cn(Cc2ccc(Cl)cc2)cn1)C(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRHDE Q9UKU6 1/20 0.52
ACE2 Q9BYF1 4/20 0.50
ACE P12821 3/20 0.50
CPB2 Q96IY4 7/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
GRN P28799 2/20 0.45
SORT1 Q99523 2/20 0.45
CPB1 P15086 1/20 0.43
FOLH1 Q04609 1/20 0.38
FNTA P49354 2/20 0.38
FNTB P49356 2/20 0.38

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
SCHEMBL5869691 1.00 TRHDE (0.52) TRHDEACE2ACECPB2ALDH1A1
SCHEMBL5870099 0.91 TRHDE (0.61) TRHDEACE2ACECPB2CPB1
SCHEMBL8249152 0.91 TRHDE (0.61) TRHDEACE2ACECPB2CPB1
SCHEMBL8248813 0.91 TRHDE (0.61) TRHDEACE2ACECPB2CPB1
SCHEMBL8249027 0.89 TRHDE (0.52) TRHDEACE2ACECPB2CPB1
SCHEMBL5869901 0.89 TRHDE (0.52) TRHDEACE2ACECPB2CPB1
SCHEMBL8254696 0.88 TRHDE (0.49) TRHDEACE2ACECPB2GRN
SCHEMBL5869697 0.88 TRHDE (0.49) TRHDEACE2ACECPB2GRN
SCHEMBL5869656 0.79 CPB2 (0.46) TRHDEACE2ACECPB2CPB1
SCHEMBL8255862 0.79 CPB2 (0.46) TRHDEACE2ACECPB2CPB1

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 TRHDE 3478/4885ACE2 2/4885ACE 1/4885

“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.