SCHEMBL3874462

SCHEMBL3874462

O=C(NO)[C@H](CC1CCCNC1)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 12/20 0.54
MMP2 P08253 10/20 0.50
MMP9 P14780 6/20 0.50
MMP3 P08254 3/20 0.50
MMP1 P03956 3/20 0.50
MMP7 P09237 1/20 0.50
ADAMTS5 Q9UNA0 3/20 0.45
ADAMTS7 Q9UKP4 1/20 0.45
MMP14 P50281 3/20 0.43
ADAMTS4 O75173 2/20 0.43
MEP1B Q16820 1/20 0.43
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
ADAM17 P78536 1/20 0.41

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
SCHEMBL3872719 0.94 MMP13 (0.56) MMP13MMP2MMP9MMP3MMP1
SCHEMBL4371646 0.88 MMP13 (0.58) MMP13MMP2MMP9MMP3MMP1
SCHEMBL3876756 0.88 MMP13 (0.58) MMP13MMP2MMP9MMP3MMP1
SCHEMBL1798737 0.82 MMP13 (0.58) MMP13MMP2MMP9MMP3MMP1
SCHEMBL1798738 0.82 MMP13 (0.58) MMP13MMP2MMP9MMP3MMP1
SCHEMBL3875821 0.80 DUT (0.55) MMP13MMP2MMP9MMP3MMP1
SCHEMBL4293372 0.80 MMP13 (0.49) MMP13MMP2MMP9MMP3MMP1
SCHEMBL4293377 0.80 MMP13 (0.49) MMP13MMP2MMP9MMP3MMP1
SCHEMBL1798488 0.77 ADAMTS7 (0.54) MMP13MMP2MMP9MMP3MMP1
SCHEMBL1798485 0.77 ADAMTS7 (0.54) MMP13MMP2MMP9MMP3MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090143386-A1 Human adam-10 inhibitors EXELIXIS, INC. 2009-06-04 US claimed
EP-1461313-A1 HUMAN ADAM-10 INHIBITORS Exelixis, Inc. (US) 2004-09-29 EP claimed
WO-2003051825-A1 HUMAN ADAM-10 INHIBITORS EXELIXIS, INC. (US) 2003-06-26 WO 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-20090143386-A1 Human adam-10 inhibitors ADAM10, ADAM12, CASP10 MMP13 97/4885MMP2 203/4885MMP9 82/4885

“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.