SCHEMBL3853329

SCHEMBL3853329

CONC(Cc1cn(Cc2ccccc2OC)c2ccccc12)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 3/20 0.49
ADAM17 P78536 10/20 0.48
MMP2 P08253 1/20 0.48
MMP13 P45452 1/20 0.48
MMP14 P50281 1/20 0.48
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
POLB P06746 1/20 0.43
MCL1 Q07820 1/20 0.42
BAD Q92934 1/20 0.42

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
SCHEMBL3853335 1.00 TP53 (0.50) TP53MEN1KMT2AMAPTADAM17
SCHEMBL3858482 0.90 TP53 (0.53) TP53MEN1KMT2AMAPTADAM17
SCHEMBL21431161 0.90 TP53 (0.53) TP53MEN1KMT2AMAPTADAM17
SCHEMBL3858488 0.90 TP53 (0.53) TP53MEN1KMT2AMAPTADAM17
SCHEMBL3848905 0.88 TP53 (0.54) TP53MEN1KMT2AMAPTADAM17
SCHEMBL3848893 0.88 TP53 (0.54) TP53MEN1KMT2AMAPTADAM17
SCHEMBL3849196 0.88 TP53 (0.48) TP53MEN1KMT2AMAPTADAM17
SCHEMBL3849203 0.88 TP53 (0.48) TP53MEN1KMT2AMAPTADAM17
SCHEMBL3848667 0.85 ADAM17 (0.63) ADAM17MMP2MMP13MMP14
SCHEMBL3848661 0.85 ADAM17 (0.63) 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 2151/4885MEN1 1856/4885KMT2A 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.