SCHEMBL1797408

SCHEMBL1797408

NC(=O)[C@@H](Cc1c[nH]cn1)N(O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 6/20 0.40
MMP13 P45452 6/20 0.40
MMP2 P08253 6/20 0.40
MMP9 P14780 6/20 0.40
MMP14 P50281 5/20 0.40
MMP3 P08254 4/20 0.40
MMP12 P39900 1/20 0.40
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
PTGES O14684 4/20 0.39
NR3C1 P04150 3/20 0.39
DUT P33316 1/20 0.39
MMP8 P22894 3/20 0.38
MMP16 P51512 2/20 0.38
ALOX5 P09917 2/20 0.38
BCL2L1 Q07817 1/20 0.37
MCL1 Q07820 1/20 0.37
ADAM17 P78536 1/20 0.37
DAGLA Q9Y4D2 1/20 0.36

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
SCHEMBL4562616 0.82 LMNA (0.39) MMP1MMP13MMP2MMP9MMP14
SCHEMBL3875615 0.77 MMP2 (0.62) MMP2MMP9LMNAADAM17
SCHEMBL14602248 0.76 MMP2 (0.60) MMP13MMP2MMP9MMP3ADAM17
SCHEMBL4382976 0.74 NR3C1 (0.56) MMP1MMP13MMP2MMP9MMP14
SCHEMBL1800017 0.74 MMP2 (0.44) MMP1MMP13MMP2MMP9MMP14
SCHEMBL6757287 0.73 MMP1 (0.46) MMP1MMP13MMP2MMP9MMP14
SCHEMBL4371642 0.72 PTGES (0.48) MMP1MMP13MMP2MMP9MMP14
SCHEMBL12505941 0.72 KEAP1 (0.46) MMP13MMP2MMP9MMP8
SCHEMBL12505943 0.72 KEAP1 (0.46) MMP13MMP2MMP9MMP8
SCHEMBL4371638 0.72 PTGES (0.48) MMP1MMP13MMP2MMP9MMP14

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
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-7951972-B2 Human adam-10 inhibitors EXELIXIS, INC. (US) 2011-05-31 US disclosed
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 MMP1 221/4885MMP13 62/4885MMP2 133/4885
US-20090143386-A1 Human adam-10 inhibitors ADAM10, ADAM12, CASP10 MMP1 366/4885MMP13 97/4885MMP2 203/4885

“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.