SCHEMBL3848256

SCHEMBL3848256

N[C@H](Cc1cn(CC2CCC2)c2ccccc12)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
ALDH1A1 P00352 1/20 0.57
RECQL P46063 1/20 0.57
ADAM17 P78536 1/20 0.52
CNR1 P21554 5/20 0.50
PADI4 Q9UM07 1/20 0.49
HTR6 P50406 2/20 0.49
CNR2 P34972 2/20 0.46
PTGS2 P35354 1/20 0.45
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
MPO P05164 1/20 0.43
TSHR P16473 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
HIF1A Q16665 1/20 0.43
ICMT O60725 1/20 0.43
HDAC3 O15379 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
SCHEMBL31369755 0.95 MAPT (0.60) MAPTALDH1A1RECQLADAM17CNR1
SCHEMBL8239256 0.80 ADAM17 (0.57) MAPTALDH1A1RECQLADAM17CNR1
SCHEMBL29982985 0.79 ALDH1A1 (0.65) MAPTALDH1A1RECQLPTGS2KMT2A
SCHEMBL1519918 0.79 MAPT (0.69) MAPTALDH1A1RECQLPADI4PTGS2
SCHEMBL29552404 0.79 ALDH1A1 (0.65) MAPTALDH1A1RECQLKMT2AKDM4E
SCHEMBL25356185 0.79 MAPT (0.65) MAPTALDH1A1RECQLHTR6PTGS2
SCHEMBL1519915 0.79 MAPT (0.69) MAPTALDH1A1RECQLPADI4PTGS2
SCHEMBL22188707 0.79 ALDH1A1 (0.65) MAPTALDH1A1RECQLKMT2AKDM4E
SCHEMBL22188706 0.79 ALDH1A1 (0.65) MAPTALDH1A1RECQLKMT2AKDM4E
SCHEMBL26008292 0.79 MAPT (0.65) MAPTALDH1A1RECQLHTR6PTGS2

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 6 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-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-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
US-20060160884-A1 Alkynyl-containing tryptophan derivative inhibitors of tace/matrix metalloproteinase WYETH (US) 2006-07-20 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 MAPT 1572/4885ALDH1A1 740/4885RECQL 3071/4885

“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.