SCHEMBL3849200

SCHEMBL3849200

COc1ccccc1Cn1cc(C[C@H](N)C(=O)OC#N)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.48
MAPT P10636 4/20 0.48
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.44
RECQL P46063 1/20 0.44
TSHR P16473 2/20 0.43
GALR3 O60755 1/20 0.42
RAB9A P51151 1/20 0.42
CNR2 P34972 1/20 0.40
POLB P06746 1/20 0.39
MCL1 Q07820 1/20 0.39
BAD Q92934 1/20 0.39
PTGS2 P35354 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38

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
SCHEMBL3853332 0.87 TP53 (0.51) TP53MAPTKMT2AMEN1ALDH1A1
SCHEMBL3858484 0.87 TP53 (0.53) TP53MAPTKMT2AMEN1ALDH1A1
SCHEMBL3849564 0.85 CHRNB2 (0.53) MAPTKMT2AALDH1A1RECQLPOLB
SCHEMBL3855721 0.82 ALDH1A1 (0.50) TP53MAPTKMT2AMEN1ALDH1A1
SCHEMBL3853673 0.82 KMT2A (0.51) TP53MAPTKMT2AALDH1A1RECQL
SCHEMBL3848330 0.82 MAPT (0.49) TP53MAPTKMT2AALDH1A1CNR2
SCHEMBL3851327 0.81 KMT2A (0.52) MAPTKMT2AALDH1A1RECQLCHRNB2
SCHEMBL3849196 0.80 TP53 (0.48) TP53MAPTKMT2AMEN1ALDH1A1
SCHEMBL3849203 0.80 TP53 (0.48) TP53MAPTKMT2AMEN1ALDH1A1
SCHEMBL3847957 0.76 TP53 (0.54) TP53MAPTKMT2AMEN1ALDH1A1

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.