SCHEMBL8428407

SCHEMBL8428407

CCOc1ccc(S(=O)(=O)NC(Cc2c[nH]c3ccc(OCc4ccccc4)cc23)C(=O)O)cc1

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.81
ADAM17 P78536 9/20 0.81
MMP13 P45452 3/20 0.81
MMP14 P50281 3/20 0.81
KCNA5 P22460 2/20 0.67
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
MMP9 P14780 7/20 0.61
HSP90AA1 P07900 1/20 0.59
HSP90AB1 P08238 1/20 0.59
LTA4H P09960 1/20 0.59
PLA2G2A P14555 1/20 0.59

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
SCHEMBL3850968 0.89 ADAM17 (1.00) MMP2ADAM17MMP13MMP14KCNA5
SCHEMBL3851208 0.89 ADAM17 (1.00) MMP2ADAM17MMP13MMP14KCNA5
SCHEMBL8429948 0.88 ADAM17 (0.79) MMP2ADAM17MMP13MMP14KCNA5
SCHEMBL7299870 0.88 MMP9 (0.78) MMP2ADAM17MMP13MMP14KCNA5
SCHEMBL8428419 0.87 ADAM17 (0.79) MMP2ADAM17MMP13MMP14KCNA5
SCHEMBL8427145 0.86 ADAM17 (0.79) MMP2ADAM17MMP13MMP14KCNA5
SCHEMBL7298534 0.84 MMP9 (0.69) MMP2ADAM17MMP13MMP14KCNA5
SCHEMBL8445720 0.84 MMP9 (0.81) MMP2ADAM17MMP13MMP14KCNA5
SCHEMBL27959026 0.84 ITGB3 (0.69) MMP2ADAM17MMP13MMP14KCNA5
SCHEMBL11682927 0.81 MEN1 (0.80) MMP2ADAM17MMP13MMP14MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576222-B2 N-{[4-(but-2-ynyloxy)phenyl]sulfonyl}-1-(2-fluorobenzyl)-5-methoxy-2-methyltryptophan; for treatment of rheumatoid arthritis, juvenile rheumatoid arthritis, ulcerative colitis, or Crohn's disease WYETH (US) 2009-08-18 US disclosed
US-20060160884-A1 Alkynyl-containing tryptophan derivative inhibitors of tace/matrix metalloproteinase WYETH (US) 2006-07-20 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 (1 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-20060160884-A1 Alkynyl-containing tryptophan derivative inhibitors of tace/matrix metalloproteinase ADAM17, TPSAB1, ADAM10 MMP2 19/4885ADAM17 1/4885MMP13 46/4885

“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.