SCHEMBL3853678

SCHEMBL3853678

Cc1ccc(Cn2cc(C[C@H](NC#N)C(=O)O)c3ccccc32)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 8/20 0.59
MAPT P10636 1/20 0.53
KMT2A Q03164 1/20 0.52
MMP2 P08253 1/20 0.50
MMP13 P45452 1/20 0.50
MMP14 P50281 1/20 0.50
HTR6 P50406 1/20 0.50
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
HDAC1 Q13547 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL3853671 1.00 ADAM17 (0.59) ADAM17MAPTKMT2AMMP2MMP13
SCHEMBL3851325 0.90 KMT2A (0.53) ADAM17MAPTKMT2AMMP2MMP13
SCHEMBL3851334 0.90 KMT2A (0.53) ADAM17MAPTKMT2AMMP2MMP13
SCHEMBL3855719 0.89 ADAM17 (0.58) ADAM17MAPTKMT2AMMP2MMP13
SCHEMBL3855725 0.89 ADAM17 (0.58) ADAM17MAPTKMT2AMMP2MMP13
SCHEMBL3849568 0.89 ADAM17 (0.63) ADAM17KMT2AMMP2MMP13MMP14
SCHEMBL3849560 0.89 ADAM17 (0.63) ADAM17KMT2AMMP2MMP13MMP14
SCHEMBL3849468 0.88 ADAM17 (0.59) ADAM17MAPTKMT2AMMP2MMP13
SCHEMBL3849476 0.88 ADAM17 (0.59) ADAM17MAPTKMT2AMMP2MMP13
SCHEMBL3848327 0.82 ADAM17 (0.56) ADAM17MAPTKMT2AMMP2MMP13

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 1/4885MAPT 1572/4885KMT2A 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.