SCHEMBL3851355

SCHEMBL3851355

CCCN[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
ALOX15 P16050 1/20 0.65
ACE P12821 3/20 0.63
KDM4E B2RXH2 2/20 0.61
MAPT P10636 2/20 0.61
APAF1 O14727 1/20 0.61
POLB P06746 1/20 0.61
RECQL P46063 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
ITGB2 P05107 3/20 0.61
ICAM1 P05362 3/20 0.61
ITGAL P20701 3/20 0.61
SMN1; SMN2 Q16637 1/20 0.59
ECE1 P42892 3/20 0.58
LMNA P02545 1/20 0.58
MPO P05164 1/20 0.58
TSHR P16473 1/20 0.58
BLM P54132 1/20 0.58
PMP22 Q01453 1/20 0.58

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
SCHEMBL2002916 0.93 BCHE (0.64) MEN1KMT2AALOX15ACEKDM4E
SCHEMBL2002917 0.93 BCHE (0.64) MEN1KMT2AALOX15ACEKDM4E
SCHEMBL3848966 0.91 MEN1 (0.63) MEN1KMT2AALOX15ACEKDM4E
SCHEMBL3848969 0.91 MEN1 (0.63) MEN1KMT2AALOX15ACEKDM4E
Hydrochloric Acid SCHEMBL28340665 0.91 BCHE (0.63) MEN1KMT2AALOX15ACEKDM4E
SCHEMBL3848569 0.91 MEN1 (0.63) MEN1KMT2AALOX15ACEKDM4E
SCHEMBL6245123 0.90 MEN1 (0.62) MEN1KMT2AALOX15ACEKDM4E
SCHEMBL6244061 0.90 MEN1 (0.62) MEN1KMT2AALOX15ACEKDM4E
SCHEMBL8384759 0.90 MEN1 (0.62) MEN1KMT2AALOX15ACEKDM4E
SCHEMBL8384762 0.90 MEN1 (0.62) MEN1KMT2AALOX15ACEKDM4E

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 MEN1 1856/4885KMT2A 1950/4885ALOX15 635/4885

“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.