SCHEMBL6810313

SCHEMBL6810313

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nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.46
CTSK P43235 6/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
PPARA Q07869 7/20 0.43
PPARG P37231 6/20 0.43
ACE P12821 1/20 0.42
PPARD Q03181 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CAPN1 P07384 1/20 0.40
IDO1 P14902 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL12205389 0.88 CTSK (0.43) CTSSCTSKCTSLCTSBCA1
SCHEMBL1742210 0.85 CTSK (0.50) CTSSCTSKCTSLCTSBPPARA
SCHEMBL646750 0.85 CTSK (0.50) CTSSCTSKCTSLCTSBPPARA
SCHEMBL206031 0.85 CTSK (0.50) CTSSCTSKCTSLCTSBPPARA
SCHEMBL24099502 0.84 CTSS (0.48) CTSSCTSKCTSLCTSBPPARA
Hydrochloric Acid SCHEMBL14471562 0.83 CTSK (0.49) CTSSCTSKCTSLCTSBPPARA
Hydrochloric Acid SCHEMBL16235893 0.83 CTSK (0.49) CTSSCTSKCTSLCTSBPPARA
SCHEMBL26117886 0.82 CTSS (0.49) CTSSCTSKCTSLCTSBPPARA
SCHEMBL26121244 0.82 CTSS (0.49) CTSSCTSKCTSLCTSBPPARA
SCHEMBL26117881 0.82 CTSS (0.49) CTSSCTSKCTSLCTSBPPARA

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 CTSS 4651/4885CTSK 4469/4885CTSL 4392/4885

“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.