SCHEMBL6933860

SCHEMBL6933860

CC(C)CC(N[C@@H](Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1)C(=O)O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRN P28799 5/20 0.49
SORT1 Q99523 5/20 0.49
ACE2 Q9BYF1 4/20 0.47
ACE P12821 3/20 0.47
CD274 Q9NZQ7 1/20 0.47
MAPK1 P28482 1/20 0.40
SOS1 Q07889 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.37
KDM4E B2RXH2 2/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
GFER P55789 1/20 0.37
KMT2A Q03164 1/20 0.37
C3AR1 Q16581 1/20 0.36

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
SCHEMBL5870485 1.00 GRN (0.49) GRNSORT1ACE2ACECD274
SCHEMBL5870491 1.00 GRN (0.49) GRNSORT1ACE2ACECD274
SCHEMBL5870482 1.00 GRN (0.49) GRNSORT1ACE2ACECD274
SCHEMBL8256384 0.92 SOS1 (0.50) GRNSORT1ACE2ACEMAPK1
SCHEMBL5869852 0.92 SOS1 (0.50) GRNSORT1ACE2ACEMAPK1
SCHEMBL5869861 0.92 SOS1 (0.50) GRNSORT1ACE2ACEMAPK1
SCHEMBL5869847 0.92 SOS1 (0.50) GRNSORT1ACE2ACEMAPK1
SCHEMBL5869737 0.89 ALDH1A1 (0.49) GRNSORT1ACE2ACEALDH1A1
SCHEMBL5869729 0.89 ALDH1A1 (0.49) GRNSORT1ACE2ACEALDH1A1
SCHEMBL5869333 0.89 ALDH1A1 (0.49) GRNSORT1ACE2ACEALDH1A1

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 GRN 3026/4885SORT1 3962/4885ACE2 2/4885

“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.