SCHEMBL1601671

SCHEMBL1601671

COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](NC(=O)O)[C@@H](C)O)cc1CC(C)(C)CCO[Si](C)(C)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TAS2R14 Q9NYV8 3/20 0.35
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
MMP8 P22894 1/20 0.35
HTT P42858 2/20 0.35
THRB P10828 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
KMT2A Q03164 1/20 0.34

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
SCHEMBL1601957 0.88 TP53 (0.39) MAPTTP53SMN1; SMN2TAS2R14MMP2
SCHEMBL1602814 0.88 TP53 (0.39) MAPTTP53SMN1; SMN2TAS2R14MMP2
SCHEMBL1602845 0.87 KMT2A (0.38) MAPTTP53SMN1; SMN2TAS2R14MMP2
SCHEMBL1602478 0.87 ALDH1A1 (0.38) MAPTTP53SMN1; SMN2TAS2R14MMP2
SCHEMBL1602738 0.85 BMP1 (0.38) MAPTTP53SMN1; SMN2TAS2R14MMP2
SCHEMBL1601501 0.85 BMP1 (0.38) MAPTTP53SMN1; SMN2TAS2R14MMP2
SCHEMBL1602152 0.84 ALDH1A1 (0.38) MAPTTP53SMN1; SMN2TAS2R14HTT
SCHEMBL6199940 0.79 PSEN1 (0.38) MMP2MMP9MMP8HTTKMT2A
SCHEMBL1601216 0.79 KMT2A (0.36) MAPTTP53SMN1; SMN2TAS2R14MMP2
SCHEMBL5771487 0.76 KMT2A (0.33) TAS2R14MMP2MMP9MMP8HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919523-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS, INC. (US) 2011-04-05 US disclosed
US-20090042973-A1 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED 2009-02-12 US disclosed
US-7442718-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-10-28 US disclosed
EP-1637518-A2 Inhibitors of aspartyl protease Vertex Pharmaceuticals Incorporated (US) 2006-03-22 EP disclosed
US-20040127488-A1 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED 2004-07-01 US disclosed
US-6617350-B2 Sulfonamides which are aspartyl protease inhibitors; well suited for inhibiting HIV-1 and HIV-2 protease activity VERTEX PHARMACEUTICALS INCORPORATED 2003-09-09 US disclosed
US-20020198388-A1 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED 2002-12-26 US disclosed
US-6319946-B1 BENZODIOXOLYLSULFONAMIDES; INHIBITING HIV-1 AND HIV-2 PROTEASE ACTIVITY VERTEX PHARMACEUTICALS INCORPORATED 2001-11-20 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 (3 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-20090042973-A1 Inhibitors of aspartyl protease SPINT2, DNPEP, PRSS1 MAPT 1868/4885TP53 1360/4885SMN1; SMN2 2568/4885
US-20040127488-A1 Inhibitors of aspartyl protease SPINT2, DNPEP, PRSS1 MAPT 1868/4885TP53 1360/4885SMN1; SMN2 2568/4885
US-20020198388-A1 Inhibitors of aspartyl protease SPINT2, DNPEP, PRSS1 MAPT 1868/4885TP53 1360/4885SMN1; SMN2 2568/4885

“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.