SCHEMBL7463004

SCHEMBL7463004

CC(C)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)NCC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 8/20 0.49
▸ CTSS P25774 6/20 0.49
▸ CTSL P07711 5/20 0.49
▸ CTSB P07858 3/20 0.49
▸ KDM4C Q9H3R0 1/20 0.45
▸ UTS2R Q9UKP6 1/20 0.44
▸ CCR1 P32246 1/20 0.44
▸ GRN P28799 1/20 0.44
▸ SORT1 Q99523 1/20 0.44
▸ CNR2 P34972 1/20 0.43
▸ HDAC1 Q13547 1/20 0.42
▸ MMP1 P03956 1/20 0.42
▸ SCN9A Q15858 1/20 0.41
▸ GCG P01275 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL5934980 0.83 MMP1 (0.50) CTSKCTSSCTSLCTSBMMP1
SCHEMBL7458804 0.80 CTSK (0.44) CTSKCTSSCTSLCTSBMMP1
SCHEMBL6926811 0.77 CTSK (0.48) CTSKCTSSCTSLCTSBKDM4C
SCHEMBL8742462 0.76 GRN (0.71) CTSKCTSSCTSLCTSBKDM4C
SCHEMBL7563718 0.76 CTSK (0.69) CTSKCTSSCTSLCTSBKDM4C
SCHEMBL7160493 0.74 CTSK (0.62) CTSKCTSSCTSLCTSBMMP1
SCHEMBL7409398 0.73 UTS2R (0.79) CTSKCTSSCTSLCTSBUTS2R
SCHEMBL7165313 0.73 MMP13 (0.60) CTSKCTSSCTSLCTSBMMP1
SCHEMBL7248005 0.72 CTSK (0.59) CTSKCTSSMMP1SCN9A
SCHEMBL27511014 0.72 CTSK (0.61) CTSKCTSSCTSLCTSBKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0983228-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-08-07 — — EP claimed
US-20020065230-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-05-30 — — US claimed
EP-0983228-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-03-08 — — EP claimed
WO-1998050342-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-12 — — WO claimed
EP-0983228-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-08-07 — — EP disclosed
US-20020065230-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-05-30 — — US disclosed
EP-0983228-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-03-08 — — EP disclosed
WO-1998050342-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-12 — — 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-20020065230-A1 Protease inhibitors PRSS1, DNPEP, CTSZ CTSK 22/4885CTSS 10/4885CTSL 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.

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