SCHEMBL7128682

SCHEMBL7128682

O=C(NO)[C@@H](c1ccccc1)N(CCN1C(=O)CNC1=O)S(=O)(=O)Cc1ccc2sccc2c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.40
MMP13 P45452 1/20 0.40
HTR1D P28221 1/20 0.32
CTNNB1 P35222 1/20 0.32
WNT3A P56704 1/20 0.32
BRD4 O60885 2/20 0.31
SIGMAR1 Q99720 1/20 0.31
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ATAD2 Q6PL18 1/20 0.30
CECR2 Q9BXF3 1/20 0.30

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
SCHEMBL7128688 1.00 MMP2 (0.40) MMP2MMP13HTR1DCTNNB1WNT3A
SCHEMBL7123582 0.87 MMP2 (0.39) MMP2MMP13CTNNB1WNT3ABRD4
SCHEMBL7118832 0.87 MMP2 (0.39) MMP2MMP13CTNNB1WNT3ABRD4
SCHEMBL7118822 0.87 MMP2 (0.39) MMP2MMP13CTNNB1WNT3ABRD4
SCHEMBL7124787 0.84 MMP2 (0.43) MMP2MMP13HTR1DBRD4ATAD2
SCHEMBL7127879 0.84 ADAMTS5 (0.40) MMP2MMP13
SCHEMBL7127883 0.84 ADAMTS5 (0.40) MMP2MMP13
SCHEMBL7127890 0.84 ADAMTS5 (0.40) MMP2MMP13
SCHEMBL7124781 0.84 MMP2 (0.43) MMP2MMP13HTR1DBRD4ATAD2
SCHEMBL7157709 0.84 MMP13 (0.39) MMP2MMP13MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030134880-A1 Novel cd23 inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2003-07-17 US claimed
US-20030134880-A1 Novel cd23 inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2003-07-17 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-20030134880-A1 Novel cd23 inhibitors CD2, CD22, CD40 MMP2 1392/4885MMP13 335/4885HTR1D 501/4885

“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.