SCHEMBL1799060

SCHEMBL1799060

N=C(N)NCCC[C@@H](N)C(=O)N(O)S(=O)(=O)c1cc(F)c(Oc2ccc(Br)cc2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC9A3 P48764 13/20 0.36
▸ ADAM10 O14672 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP12 P39900 1/20 0.33
▸ MMP14 P50281 1/20 0.33
▸ ADAM8 P78325 1/20 0.33
▸ ADAM17 P78536 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
SCHEMBL1799336 0.93 F2 (0.34) SLC9A3
SCHEMBL3874559 0.92 NPY4R (0.36) SLC9A3
SCHEMBL1800587 0.91 SLC9A3 (0.33) SLC9A3
SCHEMBL4293042 0.91 LTA4H (0.33) SLC9A3MMP2MMP9MMP12MMP14
SCHEMBL4372334 0.87 LTA4H (0.40) ADAM10MMP2MMP9MMP12MMP14
SCHEMBL1800732 0.85 MAP2K1 (0.33) —
SCHEMBL4370906 0.82 SCN9A (0.36) —
SCHEMBL4377327 0.82 F2 (0.39) MMP2MMP9MMP14
SCHEMBL4375795 0.81 TBXA2R (0.34) —
SCHEMBL4371687 0.81 SMN1; SMN2 (0.36) MMP2MMP9MMP12MMP14

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 6 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-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 SLC9A3 753/4885ADAM10 1/4885MMP2 133/4885
US-20090143386-A1 Human adam-10 inhibitors ADAM10, ADAM12, CASP10 SLC9A3 377/4885ADAM10 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.

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