SCHEMBL7123700

SCHEMBL7123700

O=C(NO)C(c1ccccc1)N(CCOc1ccccc1)S(=O)(=O)Cc1ccc2sccc2c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 7/20 0.41
MMP2 P08253 4/20 0.41
MMP9 P14780 5/20 0.36
MMP8 P22894 2/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
BMP1 P13497 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MMP1 P03956 3/20 0.33
ADAM17 P78536 3/20 0.33
CTNNB1 P35222 1/20 0.33
WNT3A P56704 1/20 0.33
ADRB3 P13945 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32

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
SCHEMBL7123704 1.00 MMP13 (0.41) MMP13MMP2MMP9MMP8MRGPRX4
SCHEMBL7123706 1.00 MMP13 (0.41) MMP13MMP2MMP9MMP8MRGPRX4
SCHEMBL7126425 0.87 MMP13 (0.42) MMP13MMP2MMP9BMP1MEN1
SCHEMBL7126419 0.87 MMP13 (0.42) MMP13MMP2MMP9BMP1MEN1
SCHEMBL7156507 0.86 MMP13 (0.45) MMP13MMP2MMP9MMP8MEN1
SCHEMBL7156500 0.86 MMP13 (0.45) MMP13MMP2MMP9MMP8MEN1
SCHEMBL7156503 0.86 MMP13 (0.45) MMP13MMP2MMP9MMP8MEN1
SCHEMBL7122205 0.85 MMP13 (0.40) MMP13MMP2MMP9BMP1MEN1
SCHEMBL7127890 0.80 ADAMTS5 (0.40) MMP13MMP2HDAC1
SCHEMBL7127883 0.80 ADAMTS5 (0.40) MMP13MMP2HDAC1

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-20030134880-A1 Novel cd23 inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2003-07-17 US claimed

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 MMP13 335/4885MMP2 1392/4885MMP9 1386/4885

“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.