SCHEMBL7458804

SCHEMBL7458804

CC(C)C[C@H](NC(=O)c1cccc2cccnc12)C(=O)NCC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 7/20 0.44
▸ CTSS P25774 6/20 0.44
▸ CTSL P07711 5/20 0.44
▸ SCN9A Q15858 2/20 0.42
▸ ATM Q13315 1/20 0.42
▸ CTSB P07858 2/20 0.42
▸ MMP1 P03956 1/20 0.42
▸ ADAM17 P78536 1/20 0.42
▸ MAPK14 Q16539 1/20 0.42
▸ TAS1R3 Q7RTX0 1/20 0.41
▸ TAS1R1 Q7RTX1 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ BCL2L1 Q07817 1/20 0.40
▸ MAPK8 P45983 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL7563529 0.89 CTSL (0.52) CTSKCTSSCTSLCTSBMMP1
SCHEMBL7561995 0.87 MMP1 (0.49) CTSKCTSSCTSLATMCTSB
SCHEMBL7560380 0.82 CTSK (0.49) CTSKCTSSCTSLSCN9ACTSB
SCHEMBL5934980 0.81 MMP1 (0.50) CTSKCTSSCTSLSCN9ACTSB
SCHEMBL7164688 0.80 CTSK (0.55) CTSKCTSSCTSLCTSB
SCHEMBL7463004 0.80 CTSK (0.49) CTSKCTSSCTSLSCN9AATM
SCHEMBL7561086 0.79 CTSK (0.44) CTSKCTSSCTSLATMMMP1
SCHEMBL7530060 0.79 CTSK (0.69) CTSKCTSSCTSLCTSBMMP1
SCHEMBL7673959 0.78 MMP1 (0.45) CTSKCTSSCTSLMMP1ADAM17
SCHEMBL6622312 0.76 MMP1 (0.52) CTSKCTSSCTSLMMP1ADAM17

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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