SCHEMBL13333322

SCHEMBL13333322

CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.47
MMP3 P08254 3/20 0.47
PDF Q9HBH1 3/20 0.41
FAAH O00519 1/20 0.40
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
BMP1 P13497 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL6135582 0.89 MMP2 (0.46) MMP2MMP3PDFMEN1TSHR
SCHEMBL7529199 0.88 MMP2 (0.49) MMP2MMP3BMP1
SCHEMBL3320642 0.87 MMP1 (0.39) FAAHMEN1CYP1A2CYP2C9TSHR
SCHEMBL3320647 0.87 MMP1 (0.39) FAAHMEN1CYP1A2CYP2C9TSHR
SCHEMBL13333271 0.84 ALDH1A1 (0.48) MEN1TSHRKMT2AALDH1A1
SCHEMBL13333341 0.83 KMT2A (0.42) MMP2MMP3PDFKMT2AALDH1A1
SCHEMBL14282181 0.80 PDF (0.52) MMP2MMP3PDF
SCHEMBL14282179 0.80 PDF (0.54) MMP2MMP3PDF
SCHEMBL3320063 0.79 FAAH (0.43) FAAH
SCHEMBL13333323 0.79 PDF (0.51) MMP2MMP3PDF

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-20100125075-A1 Antibacterial Agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2010-05-20 US disclosed
US-20100125075-A1 Antibacterial Agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2010-05-20 US disclosed
US-7186719-B2 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS (GB) 2007-03-06 US disclosed
US-7186719-B2 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS (GB) 2007-03-06 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-20100125075-A1 Antibacterial Agents NQO2, DAO, Q6ZSR9 MMP2 1579/4885MMP3 3780/4885PDF 273/4885

“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.