SCHEMBL3849191

SCHEMBL3849191

COc1ccc(Cn2cc(C[C@H](NCl)C(=O)O)c3ccccc32)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 10/20 0.64
MMP2 P08253 1/20 0.64
MMP13 P45452 1/20 0.64
MMP14 P50281 1/20 0.64
CHRM1 P11229 1/20 0.58
CHRNB2 P17787 1/20 0.57
CHRNA7 P36544 1/20 0.57
CHRNA4 P43681 1/20 0.57
HTR6 P50406 1/20 0.56
PLA2G2A P14555 2/20 0.52
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50

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
SCHEMBL3849185 1.00 ADAM17 (0.64) ADAM17MMP2MMP13MMP14CHRM1
SCHEMBL3848667 0.93 ADAM17 (0.63) ADAM17MMP2MMP13MMP14CHRM1
SCHEMBL21431311 0.93 ADAM17 (0.63) ADAM17MMP2MMP13MMP14CHRM1
SCHEMBL3848661 0.93 ADAM17 (0.63) ADAM17MMP2MMP13MMP14CHRM1
SCHEMBL3849560 0.90 ADAM17 (0.63) ADAM17MMP2MMP13MMP14CHRM1
SCHEMBL3849568 0.90 ADAM17 (0.63) ADAM17MMP2MMP13MMP14CHRM1
SCHEMBL3849170 0.90 ADAM17 (0.56) ADAM17MMP2MMP13MMP14PLA2G2A
SCHEMBL3849177 0.90 ADAM17 (0.56) ADAM17MMP2MMP13MMP14PLA2G2A
SCHEMBL3858721 0.86 ADAM17 (0.58) ADAM17MMP2MMP13MMP14HTR6
SCHEMBL3857506 0.86 ADAM17 (0.58) ADAM17MMP2MMP13MMP14HTR6

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 1/4885MMP2 19/4885MMP13 46/4885

“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.