SCHEMBL3852934

SCHEMBL3852934

CC#CCOc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]c3ccc(O)cc23)C(=O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 14/20 1.00
MMP2 P08253 8/20 0.84
MMP13 P45452 3/20 0.84
MMP14 P50281 3/20 0.84
KCNA5 P22460 1/20 0.59
MMP9 P14780 5/20 0.58

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
SCHEMBL3854084 1.00 ADAM17 (1.00) ADAM17MMP2MMP13MMP14KCNA5
SCHEMBL3850064 0.91 ADAM17 (1.00) ADAM17MMP2MMP13MMP14KCNA5
SCHEMBL3848826 0.91 ADAM17 (1.00) ADAM17MMP2MMP13MMP14KCNA5
SCHEMBL3848351 0.91 ADAM17 (1.00) ADAM17MMP2MMP13MMP14KCNA5
SCHEMBL3848822 0.91 ADAM17 (1.00) ADAM17MMP2MMP13MMP14KCNA5
SCHEMBL23752240 0.91 ADAM17 (1.00) ADAM17MMP2MMP13MMP14KCNA5
SCHEMBL3858126 0.91 ADAM17 (0.83) ADAM17MMP2MMP13MMP14KCNA5
SCHEMBL3847884 0.91 ADAM17 (0.83) ADAM17MMP2MMP13MMP14KCNA5
SCHEMBL3854413 0.91 ADAM17 (1.00) ADAM17MMP2MMP13MMP14KCNA5
SCHEMBL3847880 0.91 ADAM17 (0.83) ADAM17MMP2MMP13MMP14KCNA5

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 claimed
US-20060160884-A1 Alkynyl-containing tryptophan derivative inhibitors of tace/matrix metalloproteinase WYETH (US) 2006-07-20 US claimed

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 ADAM17 1/4885MMP2 19/4885MMP13 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.