SCHEMBL1799220

SCHEMBL1799220

COCCN/C(=N\C#N)N1CCC(C[C@H](NS(=O)(=O)c2cc(F)c(Oc3ccc(F)cc3)c(F)c2)C(=O)NO)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS7 Q9UKP4 3/20 0.45
ADAMTS5 Q9UNA0 3/20 0.45
NPC1 O15118 1/20 0.35
SLC9A3 P48764 2/20 0.34
MMP1 P03956 3/20 0.33
MMP13 P45452 2/20 0.33
CTSL P07711 2/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
ADAM17 P78536 2/20 0.33
ADAMTS4 O75173 1/20 0.33
ADAMTS1 Q9UHI8 1/20 0.33
RORC P51449 1/20 0.33
F10 P00742 2/20 0.33
ST14 Q9Y5Y6 2/20 0.33
F2 P00734 1/20 0.33
PLG P00747 1/20 0.33
BMP1 P13497 1/20 0.33

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
SCHEMBL1799218 1.00 ADAMTS7 (0.45) ADAMTS7ADAMTS5NPC1SLC9A3MMP1
SCHEMBL1800637 0.86 ADAMTS7 (0.48) ADAMTS7ADAMTS5MMP1MMP13MMP2
SCHEMBL1800636 0.86 ADAMTS7 (0.48) ADAMTS7ADAMTS5MMP1MMP13MMP2
SCHEMBL4374211 0.83 SLC9A3 (0.35) NPC1SLC9A3MMP1MMP13RORC
SCHEMBL4542802 0.82 NPC1 (0.33) NPC1SLC9A3MMP1MMP13RORC
SCHEMBL4265263 0.79 ADAMTS7 (0.47) ADAMTS7ADAMTS5MMP1MMP13MMP2
SCHEMBL4265260 0.79 ADAMTS7 (0.47) ADAMTS7ADAMTS5MMP1MMP13MMP2
SCHEMBL1797411 0.78 ADAMTS7 (0.49) ADAMTS7ADAMTS5MMP1MMP13CTSL
SCHEMBL1797412 0.78 ADAMTS7 (0.49) ADAMTS7ADAMTS5MMP1MMP13CTSL
SCHEMBL1798952 0.76 ADAMTS7 (0.45) ADAMTS7ADAMTS5MMP1MMP13MMP2

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 9 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-8247451-B2 ADAM10 and its uses related to infection VANDERBILT UNIVERSITY (US) 2012-08-21 US disclosed
US-7951972-B2 Human adam-10 inhibitors EXELIXIS, INC. (US) 2011-05-31 US disclosed
US-20090220514-A1 ADAM10 and its Uses Related to Infection VANDERBILT UNIVERSITY 2009-09-03 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 (3 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 19/4885NPC1 2401/4885
US-20090220514-A1 ADAM10 and its Uses Related to Infection ADAM10, ADAM12, ADAM17 ADAMTS7 43/4885ADAMTS5 54/4885NPC1 2394/4885
US-20090143386-A1 Human adam-10 inhibitors ADAM10, ADAM12, CASP10 ADAMTS7 53/4885ADAMTS5 36/4885NPC1 1986/4885

“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.