SCHEMBL1798737

SCHEMBL1798737

NCC1CCC(CC(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)C(=O)NO)CC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 12/20 0.58
MMP2 P08253 9/20 0.54
MMP9 P14780 6/20 0.54
MMP3 P08254 4/20 0.54
MMP1 P03956 4/20 0.54
MMP7 P09237 1/20 0.54
ADAMTS5 Q9UNA0 3/20 0.49
ADAMTS7 Q9UKP4 1/20 0.49
MMP14 P50281 4/20 0.46
ADAMTS4 O75173 3/20 0.46
MEP1B Q16820 1/20 0.46
ADAM17 P78536 2/20 0.44
MMP8 P22894 1/20 0.44
MMP16 P51512 1/20 0.44
TARS1 P26639 1/20 0.43

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
SCHEMBL1798738 1.00 MMP13 (0.58) MMP13MMP2MMP9MMP3MMP1
SCHEMBL1801383 0.91 ADAMTS7 (0.50) MMP13MMP2MMP9MMP3MMP1
SCHEMBL1801386 0.91 ADAMTS7 (0.50) MMP13MMP2MMP9MMP3MMP1
SCHEMBL4371646 0.88 MMP13 (0.58) MMP13MMP2MMP9MMP3MMP1
SCHEMBL3876756 0.88 MMP13 (0.58) MMP13MMP2MMP9MMP3MMP1
SCHEMBL1798488 0.84 ADAMTS7 (0.54) MMP13MMP2MMP9MMP3MMP1
SCHEMBL1798485 0.84 ADAMTS7 (0.54) MMP13MMP2MMP9MMP3MMP1
SCHEMBL3872719 0.84 MMP13 (0.56) MMP13MMP2MMP9MMP3MMP1
SCHEMBL3874462 0.82 MMP13 (0.54) MMP13MMP2MMP9MMP3MMP1
SCHEMBL1798436 0.81 ADAMTS7 (0.46) MMP13ADAMTS5ADAMTS7

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 10 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
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 (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 MMP13 62/4885MMP2 133/4885MMP9 35/4885
US-20090220514-A1 ADAM10 and its Uses Related to Infection ADAM10, ADAM12, ADAM17 MMP13 386/4885MMP2 223/4885MMP9 97/4885
US-20090143386-A1 Human adam-10 inhibitors ADAM10, ADAM12, CASP10 MMP13 97/4885MMP2 203/4885MMP9 82/4885

“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.