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SCHEMBL1602152

SCHEMBL1602152

COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H](NC(=O)O)[C@@H](C)O)cc1CC(C)(C)CCC1(C)OCCO1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ HTT P42858 2/20 0.38
▸ HIF1A Q16665 2/20 0.36
▸ EPAS1 Q99814 2/20 0.36
▸ TAS2R14 Q9NYV8 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ BMP1 P13497 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPSR1 Q6W5P4 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 0.87 TP53 (0.39) ALDH1A1HTTTAS2R14MAPTKMT2A
SCHEMBL5103867 0.85 ALDH1A1 (0.38) ALDH1A1HTTHIF1AEPAS1TAS2R14
SCHEMBL1602478 0.85 ALDH1A1 (0.38) ALDH1A1HTTTAS2R14MAPTKMT2A
SCHEMBL1602738 0.84 BMP1 (0.38) ALDH1A1HTTTAS2R14BMP1MAPT
SCHEMBL1601671 0.84 MAPT (0.36) ALDH1A1HTTTAS2R14MAPTKMT2A
SCHEMBL1602814 0.83 TP53 (0.39) ALDH1A1HTTTAS2R14MAPTKMT2A
SCHEMBL1601501 0.83 BMP1 (0.38) ALDH1A1HTTTAS2R14BMP1MAPT
SCHEMBL1602845 0.83 KMT2A (0.38) ALDH1A1HTTTAS2R14LMNAMAPT
SCHEMBL6199940 0.78 PSEN1 (0.38) HTTKMT2A
SCHEMBL7563848 0.78 MLNR (0.45) LMNA

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 ALDH1A1 1604/4885HTT 1847/4885HIF1A 3361/4885
US-20040127488-A1 Inhibitors of aspartyl protease SPINT2, DNPEP, PRSS1 ALDH1A1 1604/4885HTT 1847/4885HIF1A 3361/4885
US-20020198388-A1 Inhibitors of aspartyl protease SPINT2, DNPEP, PRSS1 ALDH1A1 1604/4885HTT 1847/4885HIF1A 3361/4885

“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.