SCHEMBL7563665

SCHEMBL7563665

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C)C(=O)NCC(=O)CNC(=O)c1cccc2cccnc12

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 3/20 0.49
▸ CTSL P07711 2/20 0.49
▸ CTSS P25774 2/20 0.49
▸ PREP P48147 1/20 0.48
▸ GAA P10253 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HCRTR1 O43613 10/20 0.42
▸ HCRTR2 O43614 7/20 0.42
▸ FAP Q12884 1/20 0.40
▸ MMP1 P03956 1/20 0.39
▸ ADAM17 P78536 1/20 0.39

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
SCHEMBL7561995 0.84 MMP1 (0.49) CTSKCTSLCTSSPREPMMP1
SCHEMBL7563529 0.80 CTSL (0.52) CTSKCTSLCTSSMMP1ADAM17
SCHEMBL7560380 0.79 CTSK (0.49) CTSKCTSLCTSSPREPMMP1
SCHEMBL7673959 0.78 MMP1 (0.45) CTSKCTSLCTSSPREPHCRTR1
SCHEMBL7561086 0.76 CTSK (0.44) CTSKCTSLCTSSSMN1; SMN2MMP1
SCHEMBL7164688 0.76 CTSK (0.55) CTSKCTSLCTSS
SCHEMBL7533265 0.76 MMP1 (0.46) CTSKCTSLCTSSPREPMMP1
SCHEMBL7458804 0.75 CTSK (0.44) CTSKCTSLCTSSMMP1ADAM17
SCHEMBL7524135 0.75 MMP1 (0.47) CTSKCTSLCTSSGAASMN1; SMN2
SCHEMBL7532726 0.74 CTSK (0.55) CTSKCTSLCTSSPREPMMP1

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 4 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
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
US-20020065230-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-05-30 — — 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 (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 22/4885CTSL 4/4885CTSS 10/4885

“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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