SCHEMBL3848330

SCHEMBL3848330

COc1cccc(Cn2cc(C[C@H](N)C(=O)OC#N)c3ccccc32)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
PLA2G2A P14555 2/20 0.48
KMT2A Q03164 1/20 0.47
POLB P06746 1/20 0.45
ADAM17 P78536 2/20 0.45
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 2/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
CNR2 P34972 1/20 0.42
ABCC2 Q92887 1/20 0.42

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
SCHEMBL3849564 0.89 CHRNB2 (0.53) MAPTPLA2G2AKMT2APOLBADAM17
SCHEMBL3853681 0.88 MAPT (0.52) MAPTPLA2G2AKMT2APOLBADAM17
SCHEMBL3849173 0.88 MAPT (0.55) MAPTPLA2G2AKMT2APOLBADAM17
SCHEMBL3853673 0.83 KMT2A (0.51) MAPTKMT2APOLBADAM17ALDH1A1
SCHEMBL3849200 0.82 TP53 (0.48) MAPTKMT2APOLBALDH1A1TP53
SCHEMBL3851327 0.82 KMT2A (0.52) MAPTKMT2AADAM17ALDH1A1LMNA
SCHEMBL3855721 0.81 ALDH1A1 (0.50) MAPTKMT2APOLBADAM17ALDH1A1
SCHEMBL3848327 0.81 ADAM17 (0.56) MAPTPLA2G2AKMT2APOLBADAM17
SCHEMBL3848336 0.81 ADAM17 (0.56) MAPTPLA2G2AKMT2APOLBADAM17
SCHEMBL3854563 0.78 KMT2A (0.52) MAPTPLA2G2AKMT2AALDH1A1LMNA

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 MAPT 1572/4885PLA2G2A 3197/4885KMT2A 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.