SCHEMBL3859905

SCHEMBL3859905

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

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.55
ICMT O60725 9/20 0.54
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
RECQL P46063 1/20 0.51
LMNA P02545 1/20 0.50
PARP1 P09874 1/20 0.48
MAPK10 P53779 1/20 0.46
HTR6 P50406 1/20 0.44
SLC1A5 Q15758 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
SCHEMBL3859902 1.00 ADAM17 (0.55) ADAM17ICMTKMT2AALDH1A1MAPT
SCHEMBL3855663 0.88 HTR6 (0.57) ADAM17ICMTKMT2AALDH1A1MAPT
SCHEMBL3855666 0.88 HTR6 (0.57) ADAM17ICMTKMT2AALDH1A1MAPT
SCHEMBL3849405 0.88 ADAM17 (0.54) ADAM17ICMTKMT2AALDH1A1LMNA
SCHEMBL3858061 0.87 ICMT (0.53) ADAM17ICMTKMT2AALDH1A1MAPT
SCHEMBL3849402 0.86 ADAM17 (0.63) ADAM17ICMTKMT2AALDH1A1LMNA
SCHEMBL3849409 0.86 ADAM17 (0.63) ADAM17ICMTKMT2AALDH1A1LMNA
SCHEMBL11033128 0.85 KMT2A (0.69) KMT2AALDH1A1MAPTRECQLLMNA
SCHEMBL9584445 0.85 KMT2A (0.69) KMT2AALDH1A1MAPTRECQLLMNA
SCHEMBL13819344 0.84 ADAM17 (0.55) ADAM17ICMTKMT2AALDH1A1MAPT

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 ADAM17 1/4885ICMT 3225/4885KMT2A 1950/4885

“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.