SCHEMBL3874554

SCHEMBL3874554

N=C(N)NCCCC(NS(=O)(=O)c1cc(F)c(Oc2ccc(O)cc2)c(F)c1)C(=O)NO

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 6/20 0.51
ADAM10 O14672 5/20 0.51
MMP2 P08253 5/20 0.51
MMP9 P14780 5/20 0.51
ADAM8 P78325 4/20 0.51
MMP14 P50281 4/20 0.51
MMP12 P39900 3/20 0.51
ADAMTS4 O75173 1/20 0.45
MMP1 P03956 1/20 0.45
ADAMTS1 Q9UHI8 1/20 0.45
ADAMTS7 Q9UKP4 1/20 0.45
ADAMTS5 Q9UNA0 1/20 0.45
BMP1 P13497 8/20 0.43
MMP7 P09237 1/20 0.42

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
SCHEMBL14470899 0.94 ADAM17 (0.50) ADAM17ADAM10MMP2MMP9ADAM8
SCHEMBL1799334 0.94 ADAM17 (0.50) ADAM17ADAM10MMP2MMP9ADAM8
SCHEMBL1799058 0.93 ADAM17 (0.54) ADAM17ADAM10MMP2MMP9ADAM8
SCHEMBL12619375 0.92 ADAM17 (0.49) ADAM17ADAM10MMP2MMP9ADAM8
SCHEMBL1800584 0.92 ADAM17 (0.49) ADAM17ADAM10MMP2MMP9ADAM8
SCHEMBL4293039 0.92 ADAM17 (0.48) ADAM17ADAM10MMP2MMP9ADAM8
SCHEMBL4372331 0.89 ADAM17 (0.58) ADAM17ADAM10MMP2MMP9ADAM8
SCHEMBL4374580 0.86 ADAM17 (0.45) ADAM17ADAM10MMP2MMP9ADAM8
SCHEMBL1800730 0.85 ADAM17 (0.44) ADAM17ADAM10MMP2MMP9ADAM8
SCHEMBL4370904 0.83 ADAM17 (0.51) ADAM17ADAM10MMP2MMP9ADAM8

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
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-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 ADAM17 4/4885ADAM10 1/4885MMP2 133/4885
US-20090220514-A1 ADAM10 and its Uses Related to Infection ADAM10, ADAM12, ADAM17 ADAM17 3/4885ADAM10 1/4885MMP2 223/4885
US-20090143386-A1 Human adam-10 inhibitors ADAM10, ADAM12, CASP10 ADAM17 4/4885ADAM10 1/4885MMP2 203/4885

“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.