SCHEMBL1800636

SCHEMBL1800636

COCCN/C(=N/C#N)N1CCC(CC(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)C(=O)NO)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADAMTS7 Q9UKP4 2/20 0.48
ADAMTS5 Q9UNA0 2/20 0.48
MMP13 P45452 8/20 0.47
MMP2 P08253 5/20 0.47
MMP9 P14780 4/20 0.47
MMP3 P08254 4/20 0.47
MMP8 P22894 2/20 0.47
MMP1 P03956 3/20 0.41
MMP7 P09237 1/20 0.41
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40
ST14 Q9Y5Y6 1/20 0.40
BMP1 P13497 6/20 0.40
MMP14 P50281 1/20 0.38
ADAM17 P78536 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
SCHEMBL1800637 1.00 ADAMTS7 (0.48) ADAMTS7ADAMTS5MMP13MMP2MMP9
SCHEMBL4265260 0.93 ADAMTS7 (0.47) ADAMTS7ADAMTS5MMP13MMP2MMP9
SCHEMBL4265263 0.93 ADAMTS7 (0.47) ADAMTS7ADAMTS5MMP13MMP2MMP9
SCHEMBL1800054 0.89 ADAMTS7 (0.48) ADAMTS7ADAMTS5MMP13MMP2MMP9
SCHEMBL1800053 0.89 ADAMTS7 (0.48) ADAMTS7ADAMTS5MMP13MMP2MMP9
SCHEMBL1799220 0.86 ADAMTS7 (0.45) ADAMTS7ADAMTS5MMP13MMP2MMP9
SCHEMBL1799218 0.86 ADAMTS7 (0.45) ADAMTS7ADAMTS5MMP13MMP2MMP9
SCHEMBL4288106 0.81 MMP3 (0.41) MMP13MMP2MMP9MMP3MMP8
SCHEMBL4288103 0.81 MMP3 (0.41) MMP13MMP2MMP9MMP3MMP8
SCHEMBL4369618 0.78 BMP1 (0.51) ADAMTS7ADAMTS5MMP13MMP2MMP9

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 8 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
EP-1461313-B1 HUMAN ADAM-10 INHIBITORS EXELIXIS INC (US) 2009-08-05 EP 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 ADAMTS7 21/4885ADAMTS5 19/4885MMP13 62/4885
US-20090143386-A1 Human adam-10 inhibitors ADAM10, ADAM12, CASP10 ADAMTS7 53/4885ADAMTS5 36/4885MMP13 97/4885

“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.