SCHEMBL4981040

SCHEMBL4981040

CC(C)(C)C(NC(=O)C(NC(=O)c1cnccn1)C1CCCCC1)C(=O)N1CC2C3C=CC(C3)C2C1C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.57
CTSB P07858 11/20 0.56
CTSL P07711 6/20 0.56
CTSK P43235 4/20 0.56
ELANE P08246 2/20 0.56
CTSV O60911 1/20 0.56
PLG P00747 1/20 0.56
CMA1 P23946 1/20 0.56
CTSS P25774 1/20 0.56
CELA1 Q9UNI1 1/20 0.56

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
SCHEMBL190803 0.91 ABCG2 (0.55) ABCG2CTSBCTSLCTSKELANE
SCHEMBL8369681 0.90 ABCG2 (0.59) ABCG2CTSBCTSLCTSKELANE
SCHEMBL8369641 0.85 CTSB (0.78) ABCG2CTSBCTSLCTSKELANE
SCHEMBL14450036 0.85 CTSB (0.78) ABCG2CTSBCTSLCTSKELANE
SCHEMBL4259300 0.85 ABCG2 (0.74) ABCG2CTSBCTSLCTSKELANE
SCHEMBL4259298 0.85 ABCG2 (0.74) ABCG2CTSBCTSLCTSKELANE
SCHEMBL15450961 0.85 ABCG2 (0.74) ABCG2CTSBCTSLCTSKELANE
SCHEMBL3822829 0.85 ABCG2 (0.74) ABCG2CTSBCTSLCTSKELANE
SCHEMBL16143270 0.85 ABCG2 (0.74) ABCG2CTSBCTSLCTSKELANE
SCHEMBL2332814 0.85 ABCG2 (0.74) 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 5 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
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.