SCHEMBL190803

SCHEMBL190803

CC(C)(C)OC(=O)C1C2C3C=CC(C3)C2CN1C(=O)C(NC(=O)C(NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.55
CTSB P07858 11/20 0.54
CTSL P07711 6/20 0.54
CTSK P43235 4/20 0.54
ELANE P08246 2/20 0.54
CTSV O60911 1/20 0.54
PLG P00747 1/20 0.54
CMA1 P23946 1/20 0.54
CTSS P25774 1/20 0.54
CELA1 Q9UNI1 1/20 0.54

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
SCHEMBL4981040 0.91 ABCG2 (0.57) ABCG2CTSBCTSLCTSKELANE
SCHEMBL16474287 0.85 ABCG2 (0.70) ABCG2CTSBCTSLCTSKELANE
SCHEMBL2324921 0.85 ABCG2 (0.70) ABCG2CTSBCTSLCTSKELANE
SCHEMBL2324915 0.85 ABCG2 (0.70) ABCG2CTSBCTSLCTSKELANE
SCHEMBL16474284 0.85 ABCG2 (0.70) ABCG2CTSBCTSLCTSKELANE
SCHEMBL13058622 0.85 ABCG2 (0.70) ABCG2CTSBCTSLCTSKELANE
SCHEMBL2324929 0.85 ABCG2 (0.70) ABCG2CTSBCTSLCTSKELANE
SCHEMBL8369641 0.83 CTSB (0.78) ABCG2CTSBCTSLCTSKELANE
SCHEMBL14450036 0.83 CTSB (0.78) ABCG2CTSBCTSLCTSKELANE
SCHEMBL8298281 0.82 ABCG2 (0.53) ABCG2CTSBCTSLCTSKELANE

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-20140010784-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-09 US disclosed
US-8486989-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-16 US disclosed
EP-2402009-A1 Inhibitors of serine protease, particularly hepatitis c virus NS3-NS4A protease, incorporating a fused ring system VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-04 EP disclosed
EP-1441720-B1 INHIBITORS OF SERINE PROTEASE, PARTICULARLY HEPATITIS C VIRUS NS3-NS4A PROTEASE, INCORPORATING A FUSED RING SYSTEM VERTEX PHARMA (US) 2012-01-04 EP 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-20030134889-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED 2003-07-17 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-20140010784-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE SERPINB1, PRSS1, SPINT2 ABCG2 2346/4885CTSB 55/4885CTSL 16/4885
US-20030134889-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease SERPINB1, PRSS1, SPINT2 ABCG2 2346/4885CTSB 55/4885CTSL 16/4885
US-20080045480-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease SERPINB1, PRSS1, SPINT2 ABCG2 2346/4885CTSB 55/4885CTSL 16/4885

“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.