SCHEMBL4457933

SCHEMBL4457933

CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CC[C@@H](C)N(C(=O)O)CC1=O.C[C@@H]1CC[C@H](N)C(=O)CN1C(=O)N1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.57
CTSL P07711 15/20 0.57
CTSS P25774 11/20 0.57
CTSB P07858 4/20 0.57
CTSV O60911 2/20 0.57
PIN1 Q13526 1/20 0.45

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
SCHEMBL6843731 0.94 CTSK (0.64) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4317277 0.89 CTSK (0.69) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4317293 0.89 CTSK (0.69) CTSKCTSLCTSSCTSBCTSV
SCHEMBL13784231 0.88 CTSK (0.64) CTSKCTSLCTSSCTSBCTSV
SCHEMBL13784264 0.83 CTSK (0.64) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4312486 0.82 CTSK (0.66) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4312489 0.82 CTSK (0.66) CTSKCTSLCTSSCTSBCTSV
SCHEMBL13784234 0.81 CTSK (0.66) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6257545 0.80 CTSK (0.53) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4316058 0.79 CTSK (0.64) CTSKCTSLCTSSCTSBCTSV

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-7563784-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-07-21 US disclosed
US-20060194787-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2006-08-31 US disclosed
US-7071184-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2006-07-04 US disclosed
EP-1307203-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2005-08-17 EP disclosed
EP-1307203-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-05-07 EP disclosed
WO-2001070232-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-27 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-20060194787-A1 Protease inhibitors CTSK, CTSL, CTSZ CTSK 1/4885CTSL 2/4885CTSS 4/4885

“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.