Sugi Predict

Sugi Predict / Compounds / SCHEMBL4353025

SCHEMBL4353025

SCHEMBL4353025

CC(C)CN(C[C@H]1OC(C)(C)N(C(=O)O)[C@H]1Cc1ccc(OCc2ccc3ccccc3c2)cc1)S(=O)(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS4 O75173 2/20 0.40
▸ MMP13 P45452 2/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ MMP14 P50281 1/20 0.40
▸ ADAMTS5 Q9UNA0 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ ABCB1 P08183 1/20 0.39
▸ MAOB P27338 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ TAS2R14 Q9NYV8 1/20 0.36
▸ KEAP1 Q14145 2/20 0.35
▸ NFE2L2 Q16236 2/20 0.35
▸ BMP1 P13497 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
SCHEMBL4347227 0.94 ADAMTS4 (0.46) ADAMTS4MMP13MMP2MMP14ADAMTS5
SCHEMBL4352479 0.91 MMP13 (0.40) ADAMTS4MMP13MMP2MMP14ADAMTS5
SCHEMBL4340203 0.91 MAOB (0.39) ADAMTS4MMP13MMP2MMP14ADAMTS5
SCHEMBL4341082 0.91 LMNA (0.40) ADAMTS4MMP13MMP2MMP14ADAMTS5
SCHEMBL4347715 0.90 LMNA (0.40) ADAMTS4MMP13MMP2MMP14ADAMTS5
SCHEMBL4351904 0.90 BMP1 (0.44) ADAMTS4MMP13MMP2MMP14ADAMTS5
SCHEMBL4340869 0.89 LMNA (0.40) ADAMTS4MMP13MMP2MMP14ADAMTS5
SCHEMBL4345112 0.89 LMNA (0.40) ADAMTS4MMP13MMP2MMP14ADAMTS5
SCHEMBL4344234 0.89 LMNA (0.39) ADAMTS4MMP13MMP2MMP14ADAMTS5
SCHEMBL4339848 0.88 HTT (0.41) LMNAHTTABCB1ALDH1A1MEN1

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 6 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-1686113-A1 Inhibitors of aspartyl protease Vertex Pharmaceuticals Incorporated (US) 2006-08-02 — — EP 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 ADAMTS4 508/4885MMP13 900/4885MMP2 279/4885
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE SPINT2, DNPEP, PRSS1 ADAMTS4 508/4885MMP13 900/4885MMP2 279/4885

“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.