SCHEMBL4264571

SCHEMBL4264571

N#C/N=C(/N1CCOCC1)N(O)C(=O)[C@@H](CCCCN)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
F2 P00734 5/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.34
PLA2G7 Q13093 1/20 0.34
SCN9A Q15858 1/20 0.33
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
FKBP1A P62942 1/20 0.33
BRD4 O60885 1/20 0.32
MMP1 P03956 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
SCHEMBL4371577 0.93 MMP2 (0.37) MAPK1F2MMP2MMP9MMP1
SCHEMBL1803718 0.80 ADAM17 (0.39) MAPK1F2ALDH1A1MMP2MMP9
SCHEMBL4374444 0.78 SCN9A (0.41) ALDH1A1SCN9AMMP2MMP9
SCHEMBL4372240 0.76 MMP2 (0.41) SCN9AMMP2MMP9MMP1
SCHEMBL4373799 0.73 MMP2 (0.38) ALDH1A1SMN1; SMN2SCN9AMMP2MMP9
SCHEMBL4369114 0.73 MMP2 (0.40) F2ALDH1A1MMP2MMP9MMP1
SCHEMBL4372216 0.72 MMP2 (0.37) ALDH1A1SCN9AMMP2MMP9MMP1
SCHEMBL1799823 0.71 ADAM17 (0.42) MMP2MMP9MMP1
SCHEMBL4374481 0.70 MMP2 (0.50) MMP2MMP9MMP1
SCHEMBL4372950 0.70 MAPK1 (0.44) MAPK1ALDH1A1SMN1; SMN2SCN9AMMP2

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
EP-1461313-B1 HUMAN ADAM-10 INHIBITORS EXELIXIS INC (US) 2009-08-05 EP claimed
US-7498358-B2 e.g. N1-hydroxy-N2-[(4-phenoxyphenyl)sulfonyl]-D-argininamide; metallopeptidase inhibitor; antiinflammation, anticarcinogenic, antidiabetic agent; angiogenesis inhibitor; atherosclerosis, stroke, ulcer, infertility, scleroderma, endometriosis, mesothelioma EXELIXIS, INC. (US) 2009-03-03 US claimed
US-20050227973-A1 Human adam-10 inhibitors EXELIXIS, INC. 2005-10-13 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-20050227973-A1 Human adam-10 inhibitors ADAM10, ADAM12, ADAM9 MAPK1 3853/4885F2 2817/4885ALDH1A1 824/4885

“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.