SCHEMBL3853918

SCHEMBL3853918

CC(C)c1ccc(Cn2cc(C[C@H](NCl)C(=O)O)c3ccccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.54
ADAM17 P78536 8/20 0.51
MAPT P10636 2/20 0.50
MMP2 P08253 1/20 0.49
MMP13 P45452 1/20 0.49
MMP14 P50281 1/20 0.49
HDAC6 Q9UBN7 4/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC10 Q969S8 3/20 0.47
HDAC3 O15379 1/20 0.47
HDAC2 Q92769 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
GCGR P47871 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
SCHEMBL3853912 1.00 KMT2A (0.54) KMT2AADAM17MAPTMMP2MMP13
SCHEMBL3858721 0.90 ADAM17 (0.58) KMT2AADAM17MMP2MMP13MMP14
SCHEMBL3857506 0.90 ADAM17 (0.58) KMT2AADAM17MMP2MMP13MMP14
SCHEMBL3851325 0.89 KMT2A (0.53) KMT2AADAM17MAPTMMP2MMP13
SCHEMBL3851334 0.89 KMT2A (0.53) KMT2AADAM17MAPTMMP2MMP13
SCHEMBL3849191 0.86 ADAM17 (0.64) ADAM17MMP2MMP13MMP14HDAC6
SCHEMBL3849185 0.86 ADAM17 (0.64) ADAM17MMP2MMP13MMP14HDAC6
SCHEMBL3850014 0.83 ADAM17 (0.61) KMT2AADAM17MAPTMMP2MMP13
SCHEMBL3850020 0.83 ADAM17 (0.61) KMT2AADAM17MAPTMMP2MMP13
SCHEMBL3855615 0.83 ALDH1A1 (0.53) KMT2AADAM17MAPTMMP2MMP13

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 KMT2A 1950/4885ADAM17 1/4885MAPT 1572/4885

“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.