SCHEMBL3869082

SCHEMBL3869082

NCCCC[C@@H](NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1)C(=O)N(O)/C(=N/C(N)=O)NO

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.42
MMP9 P14780 5/20 0.42
SCN9A Q15858 1/20 0.40
MMP13 P45452 12/20 0.38
MMP1 P03956 11/20 0.38
MMP12 P39900 2/20 0.36
MMP14 P50281 2/20 0.36
ADAM10 O14672 1/20 0.36
ADAM8 P78325 1/20 0.36
ADAM17 P78536 1/20 0.36
BCL2L1 Q07817 1/20 0.35
MCL1 Q07820 1/20 0.35
MMP3 P08254 1/20 0.35
MMP8 P22894 1/20 0.35

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
SCHEMBL4372240 0.88 MMP2 (0.41) MMP2MMP9SCN9AMMP13MMP1
SCHEMBL1802607 0.81 MMP2 (0.52) MMP2MMP9SCN9AMMP13MMP1
SCHEMBL4373799 0.80 MMP2 (0.38) MMP2MMP9SCN9AMMP13MMP1
SCHEMBL4372216 0.78 MMP2 (0.37) MMP2MMP9SCN9AMMP13MMP1
SCHEMBL4374364 0.77 SCN9A (0.43) MMP2MMP9SCN9AMMP13MMP1
SCHEMBL4374444 0.76 SCN9A (0.41) MMP2MMP9SCN9A
SCHEMBL4290532 0.75 ADAM17 (0.50) MMP2MMP9MMP13MMP1MMP12
SCHEMBL4379115 0.75 MMP2 (0.42) MMP2MMP9SCN9AMMP13MMP1
SCHEMBL4371577 0.74 MMP2 (0.37) MMP2MMP9MMP13MMP1MMP12
SCHEMBL4374481 0.74 MMP2 (0.50) MMP2MMP9MMP13MMP1MMP12

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 6 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
US-20090143386-A1 Human adam-10 inhibitors EXELIXIS, INC. 2009-06-04 US disclosed
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 disclosed
US-20050227973-A1 Human adam-10 inhibitors EXELIXIS, INC. 2005-10-13 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 (2 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 MMP2 133/4885MMP9 35/4885SCN9A 1898/4885
US-20090143386-A1 Human adam-10 inhibitors ADAM10, ADAM12, CASP10 MMP2 203/4885MMP9 82/4885SCN9A 1812/4885

“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.