SCHEMBL3858482

SCHEMBL3858482

COc1ccccc1Cn1cc(CC(NCl)C(=O)O)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.53
MAPT P10636 3/20 0.53
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
ADAM17 P78536 8/20 0.49
MMP2 P08253 1/20 0.49
MMP13 P45452 1/20 0.49
MMP14 P50281 1/20 0.49
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL3858488 1.00 TP53 (0.53) TP53MAPTKMT2AMEN1ADAM17
SCHEMBL21431161 0.91 TP53 (0.53) TP53MAPTKMT2AMEN1ADAM17
SCHEMBL3853329 0.90 TP53 (0.50) TP53MAPTKMT2AMEN1ADAM17
SCHEMBL3853335 0.90 TP53 (0.50) TP53MAPTKMT2AMEN1ADAM17
SCHEMBL3849196 0.89 TP53 (0.48) TP53MAPTKMT2AMEN1ADAM17
SCHEMBL3849203 0.89 TP53 (0.48) TP53MAPTKMT2AMEN1ADAM17
SCHEMBL3854364 0.85 TP53 (0.57) TP53MAPTKMT2AMEN1ADAM17
SCHEMBL3854357 0.85 TP53 (0.57) TP53MAPTKMT2AMEN1ADAM17
SCHEMBL3849185 0.85 ADAM17 (0.64) ADAM17MMP2MMP13MMP14
SCHEMBL3849191 0.85 ADAM17 (0.64) ADAM17MMP2MMP13MMP14

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 TP53 2151/4885MAPT 1572/4885KMT2A 1950/4885

“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.