SCHEMBL4819685

SCHEMBL4819685

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nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
CHRM1 P11229 1/20 0.42
AKR1A1 P14550 1/20 0.42
CHRM3 P20309 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
ADRA1A P35348 1/20 0.42
HRH1 P35367 1/20 0.42
DRD3 P35462 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
OR51E2 Q9H255 1/20 0.39
CA2 P00918 1/20 0.36
MAPK1 P28482 1/20 0.36
SLC1A3 P43003 2/20 0.34
SLC1A2 P43004 2/20 0.34
SLC1A1 P43005 2/20 0.34
ALDH1A1 P00352 1/20 0.34
ACE P12821 2/20 0.34

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
SCHEMBL1604267 0.88 TDP1 (0.50) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL4756190 0.88 TDP1 (0.50) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL13761133 0.88 TDP1 (0.50) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL11439361 0.85 TDP1 (0.48) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL11440142 0.85 TDP1 (0.48) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL3901335 0.85 TDP1 (0.50) TDP1OR51E2SLC1A3SLC1A2SLC1A1
SCHEMBL18313246 0.84 ACE (0.43) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL20838339 0.81 TDP1 (0.40) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL24045951 0.80 TDP1 (0.43) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL28095455 0.80 TDP1 (0.50) TDP1CHRM1AKR1A1CHRM3HTR2A

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 4 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 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 TDP1 4262/4885CHRM1 2742/4885AKR1A1 26/4885

“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.