SCHEMBL7561086

SCHEMBL7561086

CC(C)C[C@H](NC(=O)c1nccc2ccccc12)C(=O)NCC(=O)CNC(=O)c1cccc2cccnc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 3/20 0.44
▸ CCR1 P32246 1/20 0.44
▸ CTSL P07711 2/20 0.43
▸ CTSS P25774 2/20 0.43
▸ MMP1 P03956 1/20 0.41
▸ ADAM17 P78536 1/20 0.41
▸ ANPEP P15144 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CASP1 P29466 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ FNTA P49354 1/20 0.39
▸ FNTB P49356 1/20 0.39
▸ PGGT1B P53609 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ ATM Q13315 1/20 0.38

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 0.89 MMP1 (0.49) CTSKCTSLCTSSMMP1ADAM17
SCHEMBL7563529 0.86 CTSL (0.52) CTSKCTSLCTSSMMP1ADAM17
SCHEMBL7560380 0.85 CTSK (0.49) CTSKCTSLCTSSMMP1ADAM17
SCHEMBL7673959 0.81 MMP1 (0.45) CTSKCTSLCTSSMMP1ADAM17
SCHEMBL7164688 0.80 CTSK (0.55) CTSKCTSLCTSS
SCHEMBL7458804 0.79 CTSK (0.44) CTSKCTSLCTSSMMP1ADAM17
SCHEMBL7530060 0.78 CTSK (0.69) CTSKCTSLCTSSMMP1ADAM17
SCHEMBL7533265 0.78 MMP1 (0.46) CTSKCTSLCTSSMMP1ADAM17
SCHEMBL7532726 0.78 CTSK (0.55) CTSKCTSLCTSSMMP1ADAM17
SCHEMBL7524135 0.78 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 22/4885CCR1 861/4885CTSL 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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