SCHEMBL3858058

SCHEMBL3858058

CONC(Cc1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 8/20 0.62
ICMT O60725 8/20 0.49
MMP2 P08253 1/20 0.46
MMP13 P45452 1/20 0.46
MMP14 P50281 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.43
PLA2G2A P14555 1/20 0.43

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
SCHEMBL3858064 1.00 ADAM17 (0.62) ADAM17ICMTMMP2MMP13MMP14
SCHEMBL3847978 0.90 ADAM17 (0.61) ADAM17MMP2MMP13MMP14ALDH1A1
SCHEMBL3847973 0.90 ADAM17 (0.61) ADAM17MMP2MMP13MMP14ALDH1A1
SCHEMBL3849409 0.90 ADAM17 (0.63) ADAM17ICMTALDH1A1LMNAKMT2A
SCHEMBL3849402 0.90 ADAM17 (0.63) ADAM17ICMTALDH1A1LMNAKMT2A
SCHEMBL3852584 0.87 ADAM17 (0.49) ADAM17ICMTMMP2MMP13MMP14
SCHEMBL3853676 0.87 ADAM17 (0.56) ADAM17MMP2MMP13MMP14ALDH1A1
SCHEMBL3852590 0.87 ADAM17 (0.49) ADAM17ICMTMMP2MMP13MMP14
SCHEMBL3853689 0.87 ADAM17 (0.56) ADAM17MMP2MMP13MMP14ALDH1A1
SCHEMBL9584364 0.85 ADAM17 (0.58) ADAM17ICMTALDH1A1LMNAKMT2A

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 3225/4885MMP2 19/4885

“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.