SCHEMBL4907443

SCHEMBL4907443

CCCCC(NC(=O)O)(C(=O)C(C#N)=P(c1ccccc1)(c1ccccc1)c1ccccc1)C1(c2nc3ccccc3s2)CCCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.33
RAB9A P51151 7/20 0.33
NPC1 O15118 6/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 4/20 0.33
NFKB1 P19838 2/20 0.33
NFKB2 Q00653 2/20 0.33
RELA Q04206 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
STAT1 P42224 1/20 0.33
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
LMNA P02545 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
TSHR P16473 2/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL4904930 0.77 NPC1 (0.35) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL4897221 0.75 NPSR1 (0.35) SMN1; SMN2CTSLCTSBCTSK
SCHEMBL6645916 0.73 CTSK (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1NFKB1
SCHEMBL6645914 0.73 CTSK (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1NFKB1
SCHEMBL4907434 0.71 SLC6A2 (0.33) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL4907439 0.70 CTSL (0.34) CTSLCTSBCTSSCTSK
SCHEMBL6405800 0.70 ATM (0.35) L3MBTL1ALDH1A1CYP1A2CYP2C19MEN1
SCHEMBL4908421 0.66 NPC1 (0.41) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL4905680 0.66 CTSL (0.33) SMN1; SMN2KMT2ACTSLCTSBCTSS
SCHEMBL6648974 0.61 CTSK (0.45) RAB9ANPC1SMN1; SMN2ALDH1A1NFKB1

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 3 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

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 MAPT 3861/4885RAB9A 1828/4885NPC1 504/4885
US-20080058333-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS CTSK, CTSS, CTSE MAPT 3861/4885RAB9A 1828/4885NPC1 504/4885

“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.