SCHEMBL4344286

SCHEMBL4344286

CC(C)CN(C[C@H]1OC(C)(C)N(C(=O)O)[C@H]1Cc1ccc(O)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.44
HTT P42858 2/20 0.44
ALDH1A1 P00352 6/20 0.43
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MMP2 P08253 1/20 0.38
MMP13 P45452 1/20 0.38
HPGD P15428 2/20 0.38
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
ATM Q13315 1/20 0.35
TAS2R14 Q9NYV8 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
SCHEMBL4344331 0.97 SMN1; SMN2 (0.42) LMNAHTTALDH1A1NPSR1GAA
SCHEMBL4347227 0.86 ADAMTS4 (0.46) LMNAHTTALDH1A1GAAMAPT
SCHEMBL13617804 0.86 MEN1 (0.41) LMNAHTTALDH1A1NPSR1MEN1
SCHEMBL4345101 0.86 LMNA (0.42) LMNAHTTALDH1A1NPSR1GAA
SCHEMBL4339792 0.86 TAS2R14 (0.38) LMNAMMP2MMP13TAS2R14
SCHEMBL4347240 0.86 ALDH1A1 (0.38) LMNAHTTALDH1A1NPSR1MAPT
SCHEMBL4347715 0.85 LMNA (0.40) LMNAHTTALDH1A1NPSR1GAA
SCHEMBL4343824 0.84 LMNA (0.41) LMNAHTTALDH1A1NPSR1MAPT
SCHEMBL4339848 0.84 HTT (0.41) LMNAHTTALDH1A1NPSR1MAPT
SCHEMBL4340869 0.84 LMNA (0.40) LMNAHTTALDH1A1MAPTMEN1

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 LMNA 4130/4885HTT 1847/4885ALDH1A1 1604/4885
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE SPINT2, DNPEP, PRSS1 LMNA 4130/4885HTT 1847/4885ALDH1A1 1604/4885

“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.