SCHEMBL3848100

SCHEMBL3848100

N[C@@H](Cc1cn(Cc2cccc(F)c2)c2ccccc12)C(=O)OCl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
LMNA P02545 6/20 0.53
TDP1 Q9NUW8 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KMT2A Q03164 3/20 0.52
CYP19A1 P11511 2/20 0.52
ICMT O60725 1/20 0.50
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 2/20 0.46
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MGAM O43451 1/20 0.45
GAA P10253 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
POLB P06746 1/20 0.45
ALPG P10696 1/20 0.45
DNMT1 P26358 1/20 0.45

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
SCHEMBL3855610 0.87 KMT2A (0.55) ALDH1A1LMNASMN1; SMN2KMT2AICMT
SCHEMBL3849173 0.85 MAPT (0.55) ALDH1A1LMNAKMT2APOLB
SCHEMBL3858718 0.83 KMT2A (0.54) ALDH1A1LMNAKMT2ACYP19A1HTT
SCHEMBL3852576 0.82 RAB9A (0.55) ALDH1A1TDP1SMN1; SMN2KMT2ACYP19A1
SCHEMBL3850017 0.82 HTR6 (0.55) ALDH1A1SMN1; SMN2KMT2AICMTMAPK1
SCHEMBL3848098 0.81 ALDH1A1 (0.53) ALDH1A1LMNATDP1SMN1; SMN2KMT2A
SCHEMBL3848103 0.81 ALDH1A1 (0.53) ALDH1A1LMNATDP1SMN1; SMN2KMT2A
SCHEMBL3852360 0.81 KMT2A (0.52) ALDH1A1LMNASMN1; SMN2KMT2ACYP19A1
SCHEMBL3849188 0.81 CHRNB2 (0.58) ALDH1A1LMNASMN1; SMN2KMT2APOLB
SCHEMBL3853915 0.81 KMT2A (0.57) ALDH1A1LMNAKMT2AHTT

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 ALDH1A1 740/4885LMNA 991/4885TDP1 771/4885

“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.