SCHEMBL6447064

SCHEMBL6447064

CCCC[C@H](NC(=O)[C@H](CC(=O)C(C)(C)C)Cc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.54
ECE1 P42892 1/20 0.54
MMP2 P08253 9/20 0.54
MMP1 P03956 4/20 0.54
MMP3 P08254 4/20 0.54
LTA4H P09960 1/20 0.54
ACE P12821 1/20 0.51
CPA1 P15085 1/20 0.51
ACE2 Q9BYF1 1/20 0.51

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
SCHEMBL6447062 1.00 MME (0.54) MMEECE1MMP2MMP1MMP3
SCHEMBL6447060 1.00 MME (0.54) MMEECE1MMP2MMP1MMP3
SCHEMBL6447267 0.88 MME (0.62) MMEMMP2MMP1LTA4H
SCHEMBL6447498 0.88 MME (0.62) MMEMMP2MMP1LTA4H
SCHEMBL6447264 0.88 MME (0.62) MMEMMP2MMP1LTA4H
SCHEMBL6447736 0.85 MME (0.66) MMEECE1MMP1LTA4H
SCHEMBL6447734 0.85 MME (0.66) MMEECE1MMP1LTA4H
SCHEMBL6447730 0.85 MME (0.66) MMEECE1MMP1LTA4H
SCHEMBL9069240 0.83 MME (0.70) MME
SCHEMBL29232996 0.82 MME (0.67) MMEMMP2MMP1MMP3ACE

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-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 MME 11/4885ECE1 172/4885MMP2 45/4885

“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.