SCHEMBL6814282

SCHEMBL6814282

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nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 8/20 0.44
PPARG P37231 7/20 0.44
CTSS P25774 6/20 0.42
CTSK P43235 6/20 0.42
CTSL P07711 2/20 0.42
CTSB P07858 1/20 0.42
ACE P12821 1/20 0.39
PPARD Q03181 2/20 0.39
CAPN1 P07384 1/20 0.38
IDO1 P14902 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37

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
SCHEMBL15779329 0.90 CTSK (0.40) PPARAPPARGCTSSCTSKCTSL
SCHEMBL6245269 0.83 CA1 (0.42) CTSSCTSKCTSLCTSB
SCHEMBL12954710 0.82 CTSK (0.43) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL14608213 0.81 PPARA (0.50) PPARAPPARGCTSSCTSKCTSL
SCHEMBL4854926 0.81 PPARA (0.50) PPARAPPARGCTSSCTSKCTSL
SCHEMBL1022397 0.81 PPARA (0.50) PPARAPPARGCTSSCTSKCTSL
SCHEMBL6810313 0.80 CTSS (0.46) PPARAPPARGCTSSCTSKCTSL
SCHEMBL27723684 0.77 CTSK (0.52) PPARAPPARGCTSSCTSKCTSL
SCHEMBL26121244 0.77 CTSS (0.49) PPARAPPARGCTSSCTSKCTSL
SCHEMBL26119972 0.77 CTSS (0.49) PPARAPPARGCTSSCTSKCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040249187-A1 Method for producing chiral amino acid derivatives BAYER CHEMICALS AG (DE) 2004-12-09 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 (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-20040249187-A1 Method for producing chiral amino acid derivatives ADH5, AADAT, NOS2 PPARA 910/4885PPARG 2512/4885CTSS 4651/4885

“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.