SCHEMBL3373326

SCHEMBL3373326

CC(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 6/20 0.47
ACE P12821 2/20 0.47
CPA1 P15085 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 1/20 0.40
PTGS2 P35354 1/20 0.40
THPO P40225 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
LTA4H P09960 3/20 0.39
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.37
ANPEP P15144 1/20 0.36
ECE1 P42892 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
SCHEMBL22342125 1.00 MME (0.47) MMEACECPA1ACE2ALDH1A1
SCHEMBL21030512 1.00 MME (0.47) MMEACECPA1ACE2ALDH1A1
SCHEMBL8805147 1.00 MME (0.47) MMEACECPA1ACE2ALDH1A1
SCHEMBL8927997 1.00 MME (0.47) MMEACECPA1ACE2ALDH1A1
SCHEMBL291483 1.00 MME (0.47) MMEACECPA1ACE2ALDH1A1
SCHEMBL330009 0.90
SCHEMBL330011 0.90
SCHEMBL330308 0.90
SCHEMBL13253551 0.88 MME (0.40) MMEACECPA1ACE2ALDH1A1
SCHEMBL31631405 0.88 MME (0.40) MMEACECPA1ACE2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220211796-A1 PEPTIDE ANTIBIOTICS AND METHODS OF USE THEREOF TRUSTEES OF TUFTS COLLEGE 2022-07-07 US disclosed
EP-1996217-B1 NOVEL ANTIBIOTIC COMPOSITIONS CAMBRIDGE ENTPR LTD (GB) 2010-11-10 EP disclosed
US-20100041613-A1 NOVEL ANTIBIOTIC COMPOSITIONS CAMBRIDGE ENTERPRISE LTD. (GB) 2010-02-18 US disclosed
EP-1996217-A4 NOVEL ANTIBIOTIC COMPOSITIONS INFLAZYME PHARM LTD (CA) 2009-08-12 EP disclosed
EP-1996217-A2 NOVEL ANTIBIOTIC COMPOSITIONS Inflazyme Pharmaceuticals, Ltd. (CA) 2008-12-03 EP disclosed
WO-2007103548-A2 NOVEL ANTIBIOTIC COMPOSITIONS INFLAZYME PHARMACEUTICALS LTD. (CA) 2007-09-13 WO disclosed
WO-2007016556-A1 MULTIFUNCTIONAL POLYMERS FOR PROMOTION OF OPSONIZATION OF TARGET CELLS AND ORGANISMS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-02-08 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 (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-20100041613-A1 NOVEL ANTIBIOTIC COMPOSITIONS MRPL21, NRDC, OTUB1 MME 396/4885ACE 387/4885CPA1 2835/4885
US-20220211796-A1 PEPTIDE ANTIBIOTICS AND METHODS OF USE THEREOF VIP, NGLY1, PEPD MME 27/4885ACE 471/4885CPA1 879/4885

“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.