SCHEMBL4557499

SCHEMBL4557499

COC(=O)[C@H](CC(C)C)NC(=O)N1C[C@H](O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)c2cccc3cccnc23)CC[C@H]1C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.47
CTSL P07711 3/20 0.47
CTSS P25774 3/20 0.47
CASP1 P29466 8/20 0.46
CASP3 P42574 7/20 0.46
CASP7 P55210 6/20 0.46
CASP8 Q14790 5/20 0.46
CASP6 P55212 4/20 0.46
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
MMP1 P03956 1/20 0.38
ADAM17 P78536 1/20 0.38
HCRTR1 O43613 3/20 0.37
HCRTR2 O43614 2/20 0.37
CAPN1 P07384 1/20 0.37

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
SCHEMBL4557501 1.00 CTSK (0.47) CTSKCTSLCTSSCASP1CASP3
SCHEMBL4321788 0.85 CTSK (0.59) CTSKCTSLCTSSCASP1CASP3
SCHEMBL4321792 0.85 CTSK (0.59) CTSKCTSLCTSSCASP1CASP3
SCHEMBL4314731 0.80 TAS1R3 (0.61) CTSKCTSLCTSSTAS1R3TAS1R1
SCHEMBL4318551 0.80 TAS1R3 (0.61) CTSKCTSLCTSSTAS1R3TAS1R1
SCHEMBL6622168 0.79 TAS1R3 (0.62) CTSKCTSLCTSSCASP3TAS1R3
SCHEMBL6578322 0.78 CTSK (0.52) CTSKCTSLCTSSCASP1CASP3
SCHEMBL4316121 0.78 CTSK (0.61) CTSKCTSLCTSSCASP1CASP3
SCHEMBL13784236 0.78 CTSK (0.61) CTSKCTSLCTSSCASP1CASP3
SCHEMBL4316126 0.78 CTSK (0.61) CTSKCTSLCTSSCASP1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060194787-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2006-08-31 US claimed
EP-1307203-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2005-08-17 EP claimed
US-20040044201-A1 Protease inhibitors GLAXOSMITHKLINE LLC 2004-03-04 US claimed
EP-1307203-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-05-07 EP claimed
WO-2001070232-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-27 WO claimed
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
US-20040044201-A1 Protease inhibitors GLAXOSMITHKLINE LLC 2004-03-04 US 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 (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-20060194787-A1 Protease inhibitors CTSK, CTSL, CTSZ CTSK 1/4885CTSL 2/4885CTSS 4/4885
US-20040044201-A1 Protease inhibitors CTSK, CTSE, CTSZ CTSK 1/4885CTSL 11/4885CTSS 5/4885

“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.