SCHEMBL5869767

SCHEMBL5869767

CC(C)C[C@H](NC(Cn1ccn(Cc2cccc(F)c2)c1=O)C(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.47
MMP3 P08254 2/20 0.47
MMP9 P14780 2/20 0.47
ANPEP P15144 1/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
ACE2 Q9BYF1 4/20 0.40
ACE P12821 4/20 0.40
NTSR1 P30989 2/20 0.40
FOLH1 Q04609 1/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
CTSL P07711 1/20 0.38
PTGER3 P43115 1/20 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
SCHEMBL5869761 1.00 MMP1 (0.47) MMP1MMP3MMP9ANPEPKDM4E
SCHEMBL5869912 1.00 MMP1 (0.47) MMP1MMP3MMP9ANPEPKDM4E
SCHEMBL5870191 0.90 MMP1 (0.48) MMP1MMP3MMP9ANPEPNTSR1
SCHEMBL5869703 0.90 MMP1 (0.48) MMP1MMP3MMP9ANPEPNTSR1
SCHEMBL5870188 0.90 MMP1 (0.48) MMP1MMP3MMP9ANPEPNTSR1
SCHEMBL8250105 0.89 ACE2 (0.44) MMP1MMP3MMP9ACE2ACE
SCHEMBL5869313 0.89 ACE2 (0.44) MMP1MMP3MMP9ACE2ACE
SCHEMBL5869775 0.88 ACE (0.47) MMP1MMP3MMP9ACE2ACE
SCHEMBL5869807 0.88 ACE (0.47) MMP1MMP3MMP9ACE2ACE
SCHEMBL5869803 0.88 ACE (0.47) MMP1MMP3MMP9ACE2ACE

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 3 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 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 MMP1 1393/4885MMP3 379/4885MMP9 1346/4885

“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.