SCHEMBL3852576

SCHEMBL3852576

N[C@@H](Cc1cn(Cc2ccccc2F)c2ccccc12)C(=O)OCl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55
NOD2 Q9HC29 1/20 0.55
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 1/20 0.51
CYP19A1 P11511 3/20 0.48
MAPT P10636 3/20 0.47
KMT2A Q03164 2/20 0.47
RECQL P46063 2/20 0.46
MEN1 O00255 1/20 0.45
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CASP3 P42574 1/20 0.44
GFER P55789 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
RCE1 Q9Y256 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
SCHEMBL3854361 0.86 TP53 (0.52) RAB9ANPC1NOD2ALDH1A1SMN1; SMN2
SCHEMBL3858484 0.84 TP53 (0.53) ALDH1A1MAPTKMT2ARECQLMEN1
SCHEMBL3858718 0.82 KMT2A (0.54) ALDH1A1HTTCYP19A1MAPTKMT2A
SCHEMBL3848100 0.82 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HTTCYP19A1KMT2A
SCHEMBL3850017 0.81 HTR6 (0.55) ALDH1A1SMN1; SMN2MAPTKMT2ARECQL
SCHEMBL3849188 0.80 CHRNB2 (0.58) ALDH1A1SMN1; SMN2MAPTKMT2ARECQL
SCHEMBL3853915 0.80 KMT2A (0.57) ALDH1A1HTTMAPTKMT2ARECQL
SCHEMBL3858228 0.79 KMT2A (0.48) ALDH1A1MAPTKMT2ARECQL
SCHEMBL3852571 0.79 RAB9A (0.55) RAB9ANPC1NOD2ALDH1A1SMN1; SMN2
SCHEMBL3852581 0.79 RAB9A (0.55) RAB9ANPC1NOD2ALDH1A1SMN1; SMN2

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 RAB9A 1565/4885NPC1 1360/4885NOD2 793/4885

“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.