Sugi Predict

Sugi Predict / Compounds / SCHEMBL1601278

SCHEMBL1601278

SCHEMBL1601278

CC(C)(CCC1(C)OCCO1)CNC([C@H](O)[C@H](Cc1ccccc1)NC(=O)O)S(=O)(=O)c1ccc2c(c1)OCCO2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ USP9X Q93008 5/20 0.37
▸ ALDH1A1 P00352 6/20 0.36
▸ HPGD P15428 2/20 0.36
▸ CTSD P07339 1/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ BACE2 Q9Y5Z0 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ POLB P06746 2/20 0.34
▸ CHRM5 P08912 1/20 0.34
▸ VIPR2 P41587 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
SCHEMBL1601272 0.81 ALDH1A1 (0.44) ALDH1A1HPGDCTSDHTTMAPT
SCHEMBL1602893 0.81 ALDH1A1 (0.37) ALDH1A1HPGDMAPTLMNAPOLB
SCHEMBL5772888 0.75 USP9X (0.37) USP9XALDH1A1HPGDHTTMAPT
SCHEMBL1601966 0.74 BCHE (0.50) CTSDBACE1BACE2
SCHEMBL1601962 0.74 BCHE (0.50) CTSDBACE1BACE2
SCHEMBL12709784 0.74 SPPL2A (0.43) ALDH1A1CTSDMAPTLMNAGAA
SCHEMBL1603234 0.73 MMP1 (0.44) —
SCHEMBL1602159 0.72 MMP2 (0.42) ALDH1A1HTTPOLB
SCHEMBL12709726 0.71 SPPL2A (0.42) ALDH1A1CTSDLMNA
SCHEMBL5107285 0.70 PRMT1 (0.35) CTSDBACE1BACE2

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 USP9X 1650/4885ALDH1A1 1604/4885HPGD 2979/4885
US-20040127488-A1 Inhibitors of aspartyl protease SPINT2, DNPEP, PRSS1 USP9X 1650/4885ALDH1A1 1604/4885HPGD 2979/4885
US-20020198388-A1 Inhibitors of aspartyl protease SPINT2, DNPEP, PRSS1 USP9X 1650/4885ALDH1A1 1604/4885HPGD 2979/4885

“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.