SCHEMBL7469945

SCHEMBL7469945

CC(C)C[C@@H](C(=O)NCC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1)[N+](=C=O)c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 3/20 0.45
▸ MMP1 P03956 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ CTSK P43235 3/20 0.38
▸ CTSS P25774 1/20 0.38
▸ MMP2 P08253 3/20 0.38
▸ MMP9 P14780 2/20 0.38
▸ MMP12 P39900 2/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HPGD P15428 2/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36

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
SCHEMBL7163182 0.73 CTSK (0.44) MMP1SMN1; SMN2CTSKMEN1KMT2A
SCHEMBL5934980 0.72 MMP1 (0.50) MAPK14MMP1MMP13CTSKCTSS
SCHEMBL7458804 0.71 CTSK (0.44) MAPK14MMP1ATMCTSKCTSS
SCHEMBL7463004 0.67 CTSK (0.49) MMP1ATMCTSKCTSS
SCHEMBL17002033 0.67 MMP1 (0.67) MAPK14MMP1SMN1; SMN2LMNACYP3A4
SCHEMBL7462366 0.66 CTSS (0.53) CTSKCTSS
SCHEMBL19130710 0.66 MMP1 (0.65) MAPK14MMP1SMN1; SMN2LMNACYP3A4
SCHEMBL8738314 0.66 HPGD (0.66) MAPK14MMP1SMN1; SMN2LMNACYP3A4
SCHEMBL7465041 0.65 MMP2 (0.54) MAPK14MMP1SMN1; SMN2LMNACTSK
SCHEMBL7248005 0.64 CTSK (0.59) MMP1SMN1; SMN2LMNAMMP13CTSK

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 MAPK14 3258/4885MMP1 94/4885SMN1; SMN2 4738/4885

“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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