SCHEMBL3853915

SCHEMBL3853915

CC(C)c1ccc(Cn2cc(C[C@H](N)C(=O)OCl)c3ccccc32)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.57
MAPT P10636 2/20 0.50
ALDH1A1 P00352 2/20 0.50
RECQL P46063 1/20 0.50
HDAC6 Q9UBN7 5/20 0.46
HDAC10 Q969S8 4/20 0.46
HTR6 P50406 2/20 0.46
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.45
PARP1 P09874 1/20 0.45
HDAC1 Q13547 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC3 O15379 1/20 0.44
HDAC2 Q92769 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
GCGR P47871 1/20 0.44

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
SCHEMBL3858718 0.90 KMT2A (0.54) KMT2AMAPTALDH1A1RECQLHTR6
SCHEMBL3851327 0.89 KMT2A (0.52) KMT2AMAPTALDH1A1RECQLHDAC6
SCHEMBL3849188 0.87 CHRNB2 (0.58) KMT2AMAPTALDH1A1RECQLHDAC6
SCHEMBL3850017 0.83 HTR6 (0.55) KMT2AMAPTALDH1A1RECQLHDAC6
SCHEMBL3855610 0.83 KMT2A (0.55) KMT2AMAPTALDH1A1RECQLLMNA
SCHEMBL3854361 0.82 TP53 (0.52) KMT2AMAPTALDH1A1RECQLLMNA
SCHEMBL3858228 0.82 KMT2A (0.48) KMT2AMAPTALDH1A1RECQLHDAC6
SCHEMBL9584105 0.81 KMT2A (0.65) KMT2AMAPTALDH1A1RECQLHDAC6
SCHEMBL4435107 0.81 PLA2G2A (0.57) KMT2AMAPTALDH1A1HTR6LMNA
SCHEMBL3849173 0.81 MAPT (0.55) KMT2AMAPTALDH1A1HTR6LMNA

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 KMT2A 1950/4885MAPT 1572/4885ALDH1A1 740/4885

“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.