SCHEMBL4820138

SCHEMBL4820138

[CH2]c1noc(-c2cccs2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 15/20 0.58
RAB9A P51151 14/20 0.58
SMN1; SMN2 Q16637 7/20 0.58
NPSR1 Q6W5P4 1/20 0.58
ALDH1A1 P00352 5/20 0.55
MAPK1 P28482 4/20 0.55
L3MBTL1 Q9Y468 4/20 0.55
TP53 P04637 3/20 0.55
NFKB1 P19838 2/20 0.55
NFKB2 Q00653 2/20 0.55
RELA Q04206 2/20 0.55
LMNA P02545 1/20 0.55
TDP1 Q9NUW8 2/20 0.54
KDM4E B2RXH2 4/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
HSD17B10 Q99714 2/20 0.48
MEN1 O00255 2/20 0.48

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
SCHEMBL4820140 0.78 NPC1 (0.64) NPC1RAB9ASMN1; SMN2NPSR1ALDH1A1
SCHEMBL1544104 0.75 NPC1 (0.67) NPC1RAB9ASMN1; SMN2NPSR1ALDH1A1
SCHEMBL22854566 0.75 NPC1 (0.62) NPC1RAB9ASMN1; SMN2NPSR1ALDH1A1
SCHEMBL2459287 0.75 NPC1 (0.79) NPC1RAB9ASMN1; SMN2NPSR1ALDH1A1
SCHEMBL28958633 0.74 NPC1 (0.54) NPC1RAB9ASMN1; SMN2NPSR1ALDH1A1
SCHEMBL6979614 0.74 NPC1 (0.55) NPC1RAB9ASMN1; SMN2NPSR1ALDH1A1
SCHEMBL10162052 0.74 NPC1 (0.61) NPC1RAB9ASMN1; SMN2NPSR1ALDH1A1
SCHEMBL4811437 0.74 NPC1 (0.61) NPC1RAB9ASMN1; SMN2NPSR1ALDH1A1
SCHEMBL2432415 0.74 NPC1 (0.61) NPC1RAB9ASMN1; SMN2NPSR1ALDH1A1
SCHEMBL15810252 0.72 NPC1 (0.54) NPC1RAB9ASMN1; SMN2NPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402606-B2 Derivatives of 1-(oxoaminoacetyl) pentylcarbamate as cathepsin K inhibitors for the treatment of bone loss SMITHKLINE BEECHAM CORPORATION (US) 2008-07-22 US claimed
US-20050245596-A1 Derivatives of 1-(oxoaminoacetyl) pentylcarbamate as cathepsin k inhibitors for the treatment of bone loss SMITHKLINE BEECHAM CORPORATION 2005-11-03 US claimed
US-7402606-B2 Derivatives of 1-(oxoaminoacetyl) pentylcarbamate as cathepsin K inhibitors for the treatment of bone loss SMITHKLINE BEECHAM CORPORATION (US) 2008-07-22 US disclosed
US-20050245596-A1 Derivatives of 1-(oxoaminoacetyl) pentylcarbamate as cathepsin k inhibitors for the treatment of bone loss SMITHKLINE BEECHAM CORPORATION 2005-11-03 US disclosed
EP-1494663-A1 DERIVATIVES OF 1-(OXOAMINOACETYL) PENTYLCARBAMATE AS CATHEPSIN K INHIBITORS FOR THE TREATMENT OF BONE LOSS SmithKline Beecham Corporation (US) 2005-01-12 EP disclosed
WO-2003086385-A1 DERIVATIVES OF 1-(OXOAMINOACETYL) PENTYLCARBAMATE AS CATHEPSIN K INHIBITORS FOR THE TREATMENT OF BONE LOSS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-23 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-20050245596-A1 Derivatives of 1-(oxoaminoacetyl) pentylcarbamate as cathepsin k inhibitors for the treatment of bone loss CTSK, CTSB, CTSD NPC1 1181/4885RAB9A 1430/4885SMN1; SMN2 4728/4885

“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.