SCHEMBL13392452

SCHEMBL13392452

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.47
MAPK1 P28482 1/20 0.47
NOD1 Q9Y239 2/20 0.46
CTSK P43235 1/20 0.44
MME P08473 1/20 0.42
ACE P12821 2/20 0.42
ACE2 Q9BYF1 1/20 0.41
GPR84 Q9NQS5 3/20 0.41
FFAR1 O14842 1/20 0.41
PLA2G2A P14555 2/20 0.40
PLA2G5 P39877 2/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
HDAC2 Q92769 1/20 0.40

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
SCHEMBL3898059 1.00 CA2 (0.47) CA2MAPK1NOD1CTSKMME
SCHEMBL6238817 0.89 CA2 (0.52) CA2MAPK1NOD1MMEACE
SCHEMBL16750050 0.87 CHRM1 (0.46) CA2MAPK1NOD1MMESLC1A3
SCHEMBL5131686 0.87 CHRM1 (0.46) CA2MAPK1NOD1MMESLC1A3
SCHEMBL5131687 0.87 CHRM1 (0.46) CA2MAPK1NOD1MMESLC1A3
SCHEMBL22745777 0.84 CA2 (0.48) CA2MAPK1NOD1MMEACE
SCHEMBL15160777 0.83 BLM (0.44) ACE
SCHEMBL8248644 0.82 PLA2G2A (0.51) CA2MAPK1NOD1CTSKMME
SCHEMBL5869797 0.82 PLA2G2A (0.51) CA2MAPK1NOD1CTSKMME
SCHEMBL25460712 0.82 CTSK (0.43) CA2MAPK1NOD1CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 SHIONOGI & CO., LTD. (JP) 2010-04-22 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-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 MMP13, MMP3, MMP26 CA2 161/4885MAPK1 711/4885NOD1 2103/4885

“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.