SCHEMBL1798952

SCHEMBL1798952

NCC1CCC(CC(NS(=O)(=O)c2cc(F)c(Oc3ccc(F)cc3)c(F)c2)C(=O)NO)CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADAMTS7 Q9UKP4 2/20 0.45
ADAMTS5 Q9UNA0 2/20 0.45
MMP13 P45452 3/20 0.38
F10 P00742 1/20 0.36
TMPRSS6 Q8IU80 1/20 0.36
ST14 Q9Y5Y6 1/20 0.36
USP30 Q70CQ3 1/20 0.36
MMP1 P03956 3/20 0.35
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
MMP3 P08254 1/20 0.35
MMP8 P22894 1/20 0.35
PLAU P00749 1/20 0.35
HPN P05981 1/20 0.35
ADAMTS4 O75173 1/20 0.34
ADAM17 P78536 1/20 0.34
ADAMTS1 Q9UHI8 1/20 0.34

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
SCHEMBL1798953 1.00 ADAMTS7 (0.45) ADAMTS7ADAMTS5MMP13F10TMPRSS6
SCHEMBL1802731 0.93 ADAMTS7 (0.44) ADAMTS7ADAMTS5MMP13F10ST14
SCHEMBL1802730 0.93 ADAMTS7 (0.44) ADAMTS7ADAMTS5MMP13F10ST14
SCHEMBL1801386 0.89 ADAMTS7 (0.50) ADAMTS7ADAMTS5MMP13USP30MMP1
SCHEMBL1801383 0.89 ADAMTS7 (0.50) ADAMTS7ADAMTS5MMP13USP30MMP1
SCHEMBL1798436 0.89 ADAMTS7 (0.46) ADAMTS7ADAMTS5MMP13F10TMPRSS6
SCHEMBL1798439 0.89 ADAMTS7 (0.46) ADAMTS7ADAMTS5MMP13F10TMPRSS6
SCHEMBL1797140 0.88 ADAMTS7 (0.38) ADAMTS7ADAMTS5MMP13MMP1MMP2
SCHEMBL1797138 0.88 ADAMTS7 (0.38) ADAMTS7ADAMTS5MMP13MMP1MMP2
SCHEMBL1797411 0.83 ADAMTS7 (0.49) ADAMTS7ADAMTS5MMP13F10TMPRSS6

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-20090143386-A1 Human adam-10 inhibitors EXELIXIS, INC. 2009-06-04 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 19/4885MMP13 62/4885
US-20090220514-A1 ADAM10 and its Uses Related to Infection ADAM10, ADAM12, ADAM17 ADAMTS7 43/4885ADAMTS5 54/4885MMP13 386/4885
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.