SCHEMBL23366181

SCHEMBL23366181

O=C(OCc1ccccc1)C(=O)c1cc(C(=O)C(=O)OCc2ccccc2)c(C(=O)NC(CS(=O)(=O)O)C(=O)N[C@H](CS(=O)(=O)O)C(=O)N[C@H](CS(=O)(=O)O)C(=O)N[C@H](CS(=O)(=O)O)C(=O)N[C@H](CS(=O)(=O)O)C(=O)N[C@H](CS(=O)(=O)O)C(=O)N[C@H](CS(=O)(=O)O)C(=O)O)cc1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.37
PTGER4 P35408 1/20 0.37
MME P08473 1/20 0.37
ECE1 P42892 1/20 0.37
GPR132 Q9UNW8 1/20 0.36
CAPN1 P07384 1/20 0.36
CASP3 P42574 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CTSK P43235 2/20 0.35
TACR1 P25103 1/20 0.35

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
SCHEMBL23366191 0.97 MMP13 (0.39) MMP13PTGER4MMEECE1GPR132
SCHEMBL23366235 0.97 MMP13 (0.39) MMP13PTGER4MMEECE1GPR132
SCHEMBL23366190 0.97 MMP13 (0.39) MMP13PTGER4MMEECE1GPR132
SCHEMBL24180296 0.95 MME (0.35) MMP13PTGER4MMEECE1GPR132
SCHEMBL24180300 0.92 MME (0.37) MMP13PTGER4MMEECE1GPR132
SCHEMBL24180289 0.91 PSMB1 (0.34) MMP13PTGER4MMEECE1CAPN1
SCHEMBL24180303 0.88 CTSK (0.39) MMEECE1CAPN1CASP3CTSK
SCHEMBL23366164 0.81 MME (0.49) MMEECE1CASP3
SCHEMBL23366222 0.81 MME (0.49) MMEECE1CASP3
SCHEMBL23366211 0.81 MME (0.49) MMEECE1CASP3

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-11007274-B2 Compounds for medicinal applications AusVir Therapeutics Pty Ltd (AU) 2021-05-18 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-11007274-B2 Compounds for medicinal applications HAVCR2, ENGASE, DNPEP MMP13 961/4885PTGER4 2023/4885MME 14/4885

“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.