SCHEMBL3849435

SCHEMBL3849435

CC#CCOc1ccc(S(=O)(=O)NC(Cc2c[nH]c3cc(C)ccc23)C(=O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 15/20 1.00
MMP2 P08253 7/20 0.87
MMP13 P45452 3/20 0.87
MMP14 P50281 3/20 0.87
MMP9 P14780 4/20 0.60
KCNA5 P22460 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
SCHEMBL3849438 1.00 ADAM17 (1.00) ADAM17MMP2MMP13MMP14MMP9
SCHEMBL3848822 0.93 ADAM17 (1.00) ADAM17MMP2MMP13MMP14MMP9
SCHEMBL3848826 0.93 ADAM17 (1.00) ADAM17MMP2MMP13MMP14MMP9
SCHEMBL23752240 0.93 ADAM17 (1.00) ADAM17MMP2MMP13MMP14MMP9
SCHEMBL3848459 0.91 ADAM17 (1.00) ADAM17MMP2MMP13MMP14MMP9
SCHEMBL3848461 0.91 ADAM17 (1.00) ADAM17MMP2MMP13MMP14MMP9
SCHEMBL3855694 0.89 ADAM17 (1.00) ADAM17MMP2MMP13MMP14MMP9
SCHEMBL3852436 0.89 ADAM17 (1.00) ADAM17MMP2MMP13MMP14MMP9
SCHEMBL3852934 0.86 ADAM17 (1.00) ADAM17MMP2MMP13MMP14MMP9
SCHEMBL3850064 0.86 ADAM17 (1.00) ADAM17MMP2MMP13MMP14MMP9

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.