SCHEMBL4340203

SCHEMBL4340203

CC(C)CN(C[C@H]1OC(C)(C)N(C(=O)O)[C@H]1Cc1ccc(OCc2cccc(F)c2)cc1)S(=O)(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.39
MMP13 P45452 3/20 0.39
ADAMTS4 O75173 2/20 0.39
MMP2 P08253 2/20 0.39
MMP14 P50281 2/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
MMP1 P03956 4/20 0.38
ADAM17 P78536 2/20 0.38
MAOA P21397 4/20 0.37
ABCB1 P08183 1/20 0.37
MEP1B Q16820 1/20 0.37
MMP9 P14780 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SCN9A Q15858 1/20 0.35

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
SCHEMBL4347715 0.94 LMNA (0.40) MAOBMMP13ADAMTS4MMP2MMP14
SCHEMBL4347227 0.93 ADAMTS4 (0.46) MAOBMMP13ADAMTS4MMP2MMP14
SCHEMBL4352479 0.93 MMP13 (0.40) MMP13ADAMTS4MMP2MMP14ADAMTS5
SCHEMBL4341082 0.92 LMNA (0.40) MAOBMMP13ADAMTS4MMP2MMP14
SCHEMBL4351904 0.91 BMP1 (0.44) MAOBMMP13ADAMTS4MMP2MMP14
SCHEMBL4353025 0.91 ADAMTS4 (0.40) MAOBMMP13ADAMTS4MMP2MMP14
SCHEMBL4340869 0.88 LMNA (0.40) MAOBMMP13ADAMTS4MMP2MMP14
SCHEMBL4345112 0.88 LMNA (0.40) MMP13ADAMTS4MMP2MMP14ADAMTS5
SCHEMBL4343824 0.87 LMNA (0.41) LMNAHTTABCB1MEP1BALDH1A1
SCHEMBL4344234 0.86 LMNA (0.39) MMP13ADAMTS4MMP2MMP14ADAMTS5

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 US disclosed
EP-1194404-B1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMA (US) 2006-05-03 EP disclosed
US-6878728-B1 Inhibitors of aspartyl protease VERTEX PHARMACEUTICAL INCORPORATED (US) 2005-04-12 US disclosed
US-20040122000-A1 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED. 2004-06-24 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 (2 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-20040122000-A1 Inhibitors of aspartyl protease SPINT2, DNPEP, PRSS1 MAOB 4144/4885MMP13 900/4885ADAMTS4 508/4885
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE SPINT2, DNPEP, PRSS1 MAOB 4144/4885MMP13 900/4885ADAMTS4 508/4885

“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.