SCHEMBL1802359

SCHEMBL1802359

N=C(NO)c1cccc(C[C@@H](NS(=O)(=O)c2cc(F)c(Oc3ccc(F)cc3)c(F)c2)C(=O)NO)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ F10 P00742 12/20 0.43
▸ ST14 Q9Y5Y6 9/20 0.43
▸ TMPRSS6 Q8IU80 6/20 0.43
▸ CTSL P07711 1/20 0.39
▸ CTSB P07858 1/20 0.39
▸ CTSS P25774 1/20 0.39
▸ CTSK P43235 1/20 0.39
▸ F2 P00734 6/20 0.39
▸ PLG P00747 6/20 0.39
▸ PLAU P00749 5/20 0.39
▸ ADAMTS4 O75173 1/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ ADAM17 P78536 1/20 0.38
▸ ADAMTS1 Q9UHI8 1/20 0.38
▸ ADAMTS7 Q9UKP4 1/20 0.38
▸ ADAMTS5 Q9UNA0 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ HPN P05981 1/20 0.38

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
SCHEMBL4372182 0.92 F10 (0.51) F10ST14TMPRSS6F2PLG
SCHEMBL1797575 0.90 MMP2 (0.43) MMP2MMP9ST14TMPRSS6CTSL
SCHEMBL4373478 0.84 F2 (0.48) MMP2MMP9F10ST14TMPRSS6
SCHEMBL4377255 0.79 MEP1B (0.36) MMP2MMP9F10ST14TMPRSS6
SCHEMBL1800796 0.76 MMP1 (0.48) MMP2MMP9MMP1ADAM17MMP13
SCHEMBL1800798 0.76 MMP1 (0.48) MMP2MMP9MMP1ADAM17MMP13
SCHEMBL14470899 0.75 ADAM17 (0.50) MMP2MMP9ADAMTS4MMP1ADAM17
SCHEMBL1799334 0.75 ADAM17 (0.50) MMP2MMP9ADAMTS4MMP1ADAM17
SCHEMBL1798952 0.74 ADAMTS7 (0.45) MMP2MMP9F10ST14TMPRSS6
SCHEMBL1798953 0.74 ADAMTS7 (0.45) MMP2MMP9F10ST14TMPRSS6

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 7 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-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 MMP2 133/4885MMP9 35/4885F10 57/4885
US-20090143386-A1 Human adam-10 inhibitors ADAM10, ADAM12, CASP10 MMP2 203/4885MMP9 82/4885F10 27/4885

“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.

Send feedback