Sugi Predict

Sugi Predict / Compounds / SCHEMBL8369641

SCHEMBL8369641

SCHEMBL8369641

CCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)[C@@H]1C=C[C@H]2C1)C(=O)C(=O)NC1CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 13/20 0.78
▸ CTSL P07711 8/20 0.78
▸ CTSK P43235 6/20 0.78
▸ CTSS P25774 3/20 0.78
▸ ELANE P08246 2/20 0.78
▸ CTSV O60911 1/20 0.78
▸ PLG P00747 1/20 0.78
▸ CMA1 P23946 1/20 0.78
▸ CELA1 Q9UNI1 1/20 0.78
▸ ABCG2 Q9UNQ0 1/20 0.70
▸ CRBN Q96SW2 1/20 0.49

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
SCHEMBL14450036 1.00 CTSB (0.78) CTSBCTSLCTSKCTSSELANE
SCHEMBL8369687 0.92 CTSB (0.81) CTSBCTSLCTSKCTSSELANE
SCHEMBL14469214 0.92 CTSB (0.81) CTSBCTSLCTSKCTSSELANE
SCHEMBL2738422 0.92 CTSB (0.81) CTSBCTSLCTSKCTSSELANE
SCHEMBL11936495 0.90 CTSB (0.90) CTSBCTSLCTSKCTSSELANE
SCHEMBL15029257 0.89 CTSB (0.91) CTSBCTSLCTSKCTSSELANE
Telaprevir SCHEMBL7857260 0.88 CTSB (1.00) CTSBCTSLCTSKCTSSELANE
Telaprevir SCHEMBL13201921 0.88 CTSB (1.00) CTSBCTSLCTSKCTSSELANE
Telaprevir SCHEMBL13201959 0.88 CTSB (1.00) CTSBCTSLCTSKCTSSELANE
Telaprevir SCHEMBL22171584 0.88 CTSB (1.00) CTSBCTSLCTSKCTSSELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8486989-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-16 — — US disclosed
US-8486989-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-16 — — US disclosed
US-20080045480-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED 2008-02-21 — — US disclosed
US-20080045480-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED 2008-02-21 — — US disclosed
US-7241796-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INC. (US) 2007-07-10 — — US disclosed
US-7241796-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INC. (US) 2007-07-10 — — US disclosed
WO-2003035060-A1 INHIBITORS OF SERINE PROTEASE, PARTICULARLY HEPATITIS C VIRUS NS3-NS4A PROTEASE, INCORPORATING A FUSED RING SYSTEM VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-05-01 — — WO 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 (1 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-20080045480-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease SERPINB1, PRSS1, SPINT2 CTSB 55/4885CTSL 16/4885CTSK 106/4885

“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.