SCHEMBL7560380

SCHEMBL7560380

CC(C)C[C@H](NC(=O)c1ccccn1)C(=O)NCC(=O)CNC(=O)c1cccc2cccnc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 5/20 0.49
▸ CTSL P07711 3/20 0.47
▸ CTSS P25774 2/20 0.47
▸ SCN9A Q15858 2/20 0.46
▸ PSMB5 P28074 1/20 0.45
▸ CNR2 P34972 2/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ MMP1 P03956 1/20 0.43
▸ ADAM17 P78536 1/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ EGLN1 Q9GZT9 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ GRN P28799 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 0.92 MMP1 (0.49) CTSKCTSLCTSSCNR2MMP1
SCHEMBL7563529 0.90 CTSL (0.52) CTSKCTSLCTSSHDAC1MMP1
SCHEMBL7561086 0.85 CTSK (0.44) CTSKCTSLCTSSMMP1ADAM17
SCHEMBL7673959 0.84 MMP1 (0.45) CTSKCTSLCTSSMMP1ADAM17
SCHEMBL7164688 0.83 CTSK (0.55) CTSKCTSLCTSSHDAC1CTSB
SCHEMBL7530060 0.83 CTSK (0.69) CTSKCTSLCTSSMMP1ADAM17
SCHEMBL7532726 0.83 CTSK (0.55) CTSKCTSLCTSSMMP1ADAM17
SCHEMBL7458804 0.82 CTSK (0.44) CTSKCTSLCTSSSCN9AMMP1
SCHEMBL7533265 0.81 MMP1 (0.46) CTSKCTSLCTSSCNR2MMP1
SCHEMBL7524135 0.80 MMP1 (0.47) CTSKCTSLCTSSMMP1ADAM17

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 22/4885CTSL 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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