SCHEMBL7127883

SCHEMBL7127883

O=C(NO)[C@@H](c1ccccc1)N(CCN1CCCC1=O)S(=O)(=O)Cc1ccc2sccc2c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 3/20 0.40
MMP2 P08253 1/20 0.38
MMP13 P45452 1/20 0.38
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
RCE1 Q9Y256 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL7127890 1.00 ADAMTS5 (0.40) ADAMTS5MMP2MMP13LMNAHTT
SCHEMBL7127879 1.00 ADAMTS5 (0.40) ADAMTS5MMP2MMP13LMNAHTT
SCHEMBL7128682 0.84 MMP2 (0.40) MMP2MMP13
SCHEMBL7128688 0.84 MMP2 (0.40) MMP2MMP13
SCHEMBL7114256 0.84 MMP2 (0.41) ADAMTS5MMP2MMP13LMNANPC1
SCHEMBL7114248 0.84 MMP2 (0.41) ADAMTS5MMP2MMP13LMNANPC1
SCHEMBL7118822 0.84 MMP2 (0.39) MMP2MMP13GAA
SCHEMBL7118832 0.84 MMP2 (0.39) MMP2MMP13GAA
SCHEMBL7123582 0.84 MMP2 (0.39) MMP2MMP13GAA
SCHEMBL7156500 0.82 MMP13 (0.45) MMP2MMP13

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 ADAMTS5 2472/4885MMP2 1392/4885MMP13 335/4885

“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.