SCHEMBL404157

SCHEMBL404157

CCC1(C(=O)N[C@@H](CCCN)C(=O)NO)C=CC(c2ccccc2)=CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.36
MMP3 P08254 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
MMP9 P14780 1/20 0.36
ANPEP P15144 3/20 0.36
CTSB P07858 1/20 0.36
TLR2 O60603 1/20 0.34
MME P08473 1/20 0.34
ACE P12821 1/20 0.34
CPA1 P15085 1/20 0.34
ACE2 Q9BYF1 1/20 0.34

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
SCHEMBL4876249 0.86 ANPEP (0.39) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL4876777 0.84 ANPEP (0.37) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL4868358 0.81 ANPEP (0.36) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL403860 0.79 ANPEP (0.35) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL4878757 0.76 ITGB1 (0.36) MMEACECPA1ACE2
SCHEMBL4873402 0.74 ANPEP (0.36) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL403598 0.73 ANPEP (0.35) ANPEP
SCHEMBL2157193 0.73 SMN1; SMN2 (0.33)
SCHEMBL4877871 0.71 PYGL (0.34)
SCHEMBL404156 0.71 MMP1 (0.38) MMP1MMP3HDAC3HDAC4HDAC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-20110172174-A1 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS INC. 2011-07-14 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-20060154988-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2006-07-13 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 (2 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-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS MMP1 1000/4885MMP3 1396/4885HDAC3 2114/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS MMP1 1000/4885MMP3 1396/4885HDAC3 2114/4885

“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.