SCHEMBL5869703

SCHEMBL5869703

CC(C)CC(NC(Cn1ccn(CCc2cccc(F)c2)c1=O)C(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 6/20 0.48
MMP9 P14780 6/20 0.48
MMP3 P08254 3/20 0.48
ANPEP P15144 1/20 0.42
NTSR1 P30989 2/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
FOLH1 Q04609 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CTSL P07711 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CES2 O00748 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
SCHEMBL5870191 1.00 MMP1 (0.48) MMP1MMP9MMP3ANPEPNTSR1
SCHEMBL5870188 1.00 MMP1 (0.48) MMP1MMP9MMP3ANPEPNTSR1
SCHEMBL5869767 0.90 MMP1 (0.47) MMP1MMP9MMP3ANPEPNTSR1
SCHEMBL5869761 0.90 MMP1 (0.47) MMP1MMP9MMP3ANPEPNTSR1
SCHEMBL5869912 0.90 MMP1 (0.47) MMP1MMP9MMP3ANPEPNTSR1
SCHEMBL7426808 0.88 MMP1 (0.46) MMP1MMP9MMP3ANPEPNTSR1
SCHEMBL5869287 0.88 MAPK1 (0.44) MMP1MMP9MMP3NTSR1FOLH1
SCHEMBL5869299 0.88 MAPK1 (0.44) MMP1MMP9MMP3NTSR1FOLH1
SCHEMBL5869290 0.88 MAPK1 (0.44) MMP1MMP9MMP3NTSR1FOLH1
SCHEMBL5870317 0.88 ANPEP (0.38) MMP1MMP9MMP3ANPEPFOLH1

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 5 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

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 1393/4885MMP9 1346/4885MMP3 379/4885

“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.