SCHEMBL8280314

SCHEMBL8280314

CCC[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NOCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 8/20 0.61
▸ ABCG2 Q9UNQ0 1/20 0.60
▸ CTSB P07858 13/20 0.60
▸ CTSK P43235 6/20 0.59
▸ CTSS P25774 3/20 0.59
▸ ELANE P08246 2/20 0.59
▸ CTSV O60911 1/20 0.59
▸ PLG P00747 1/20 0.59
▸ CMA1 P23946 1/20 0.59
▸ CELA1 Q9UNI1 1/20 0.59
▸ CRBN Q96SW2 1/20 0.40

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
SCHEMBL13413338 0.92 CTSL (0.62) CTSLABCG2CTSBCTSKCTSS
SCHEMBL8279522 0.92 CTSL (0.62) CTSLABCG2CTSBCTSKCTSS
SCHEMBL13062724 0.92 CTSL (0.62) CTSLABCG2CTSBCTSKCTSS
SCHEMBL8279221 0.91 CTSB (0.64) CTSLABCG2CTSBCTSKCTSS
SCHEMBL8280326 0.90 ABCG2 (0.65) CTSLABCG2CTSBCTSKCTSS
SCHEMBL8279525 0.90 CTSL (0.61) CTSLABCG2CTSBCTSKCTSS
SCHEMBL8280328 0.89 ABCG2 (0.62) CTSLABCG2CTSBCTSKCTSS
SCHEMBL13245534 0.89 CTSL (0.77) CTSLABCG2CTSBCTSKCTSS
SCHEMBL13267073 0.89 CTSL (0.77) CTSLABCG2CTSBCTSKCTSS
SCHEMBL10077204 0.89 CTSL (0.77) CTSLABCG2CTSBCTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140031277-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-30 — — US disclosed
US-8536136-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-17 — — US disclosed
US-20100330109-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-30 — — US disclosed
US-7683033-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-03-23 — — US disclosed
US-7683033-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-03-23 — — US disclosed
WO-2005077969-A2 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-08-25 — — 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 (2 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-20100330109-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE PRSS1, SERPINB1, SPINT2 CTSL 28/4885ABCG2 1166/4885CTSB 68/4885
US-20140031277-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE PRSS1, SERPINB1, SPINT2 CTSL 28/4885ABCG2 1166/4885CTSB 68/4885

“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.

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