Sugi Predict

Sugi Predict / Compounds / SCHEMBL4907434

SCHEMBL4907434

SCHEMBL4907434

CCCC[C@@H](C(=O)C(C#N)=P(c1ccccc1)(c1ccccc1)c1ccccc1)N(C(=O)O)C1(c2nc3ccccc3s2)CCCC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ RAB9A P51151 4/20 0.32
▸ NPC1 O15118 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ USP30 Q70CQ3 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ STAT1 P42224 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 1/20 0.31
▸ MAPT P10636 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL6645914 0.78 CTSK (0.42) RAB9ANPC1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL6645916 0.78 CTSK (0.42) RAB9ANPC1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL4908342 0.77 CTSK (0.37) NPSR1
SCHEMBL4904902 0.77 CTSK (0.37) SLC6A2SLC6A4L3MBTL1RAB9ANPC1
SCHEMBL4908428 0.76 CTSK (0.38) NPSR1
SCHEMBL4897207 0.75 NPSR1 (0.37) SMN1; SMN2NPSR1
SCHEMBL4907439 0.72 CTSL (0.34) USP30
SCHEMBL4907443 0.71 MAPT (0.33) SLC6A2SLC6A4L3MBTL1POLBRAB9A
SCHEMBL4905670 0.66 CTSK (0.37) NPSR1
SCHEMBL6646684 0.63 CTSK (0.64) —

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080058333-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS CATALANO JOHN G 2008-03-06 — — US disclosed
US-7282512-B2 Cycloalkyl ketoamides derivatives useful as cathepsin K inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-10-16 — — US disclosed
US-20050054819-A1 Cycloalkyl ketoamides derivatives useful as cathepsin k inhibitors SMITHKLINE BEECHAM CORPORATION 2005-03-10 — — US disclosed
EP-1465862-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS SmithKline Beecham Corporation (US) 2004-10-13 — — EP disclosed
WO-2003062192-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-07-31 — — 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 (2 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-20050054819-A1 Cycloalkyl ketoamides derivatives useful as cathepsin k inhibitors CTSK, CTSS, CTSE SLC6A2 4725/4885SLC6A4 4648/4885L3MBTL1 2634/4885
US-20080058333-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS CTSK, CTSS, CTSE SLC6A2 4725/4885SLC6A4 4648/4885L3MBTL1 2634/4885

“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.