SCHEMBL3848569

SCHEMBL3848569

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
ALOX15 P16050 1/20 0.61
BCHE P06276 4/20 0.61
ACE P12821 3/20 0.60
KCNA5 P22460 1/20 0.59
KDM4E B2RXH2 1/20 0.57
APAF1 O14727 1/20 0.57
POLB P06746 1/20 0.57
MAPT P10636 1/20 0.57
RECQL P46063 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
ITGB2 P05107 1/20 0.57
ICAM1 P05362 1/20 0.57
ITGAL P20701 1/20 0.57
MMP1 P03956 1/20 0.57
MMP2 P08253 1/20 0.57
MMP8 P22894 1/20 0.57
CCKBR P32239 1/20 0.56
ECE1 P42892 3/20 0.55

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
SCHEMBL3848969 1.00 MEN1 (0.63) MEN1KMT2AALOX15BCHEACE
SCHEMBL3848966 1.00 MEN1 (0.63) MEN1KMT2AALOX15BCHEACE
SCHEMBL6244061 0.99 MEN1 (0.62) MEN1KMT2AALOX15BCHEACE
SCHEMBL6244059 0.99 MEN1 (0.62) MEN1KMT2AALOX15BCHEACE
SCHEMBL6245120 0.99 MEN1 (0.62) MEN1KMT2AALOX15BCHEACE
SCHEMBL28377319 0.99 MEN1 (0.62) MEN1KMT2AALOX15BCHEACE
SCHEMBL6245123 0.99 MEN1 (0.62) MEN1KMT2AALOX15BCHEACE
SCHEMBL8384762 0.99 MEN1 (0.62) MEN1KMT2AALOX15BCHEACE
SCHEMBL8384759 0.99 MEN1 (0.62) MEN1KMT2AALOX15BCHEACE
Water SCHEMBL27944928 0.99 MEN1 (0.62) MEN1KMT2AALOX15BCHEACE

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140065679-A1 PRODUCTION OF ENANTIOMERICALLY PURIFIED AMINO ACIDS THE UNIVERSITY OF EDINBURGH (GB) 2014-03-06 US disclosed
EP-2697373-A1 PRODUCTION OF ENANTIOMERICALLY PURIFIED AMINO ACIDS Dr. Reddy's Laboratories (EU) Limited (GB) 2014-02-19 EP disclosed
WO-2012140507-A1 PRODUCTION OF ENANTIOMERICALLY PURIFIED AMINO ACIDS DR. REDDY'S LABORATORIES (EU) LIMITED (GB) 2012-10-18 WO 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

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.