SCHEMBL13223941

SCHEMBL13223941

COC(=O)N[C@H](CO)C(=O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 3/20 0.40
▸ MME P08473 2/20 0.33
▸ CTSK P43235 4/20 0.32
▸ CTSS P25774 3/20 0.32
▸ PRKCA P17252 1/20 0.32
▸ CTSL P07711 1/20 0.30
▸ CTSB P07858 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA7 P43166 1/20 0.30

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
SCHEMBL19318522 1.00 TGFBR1 (0.40) TGFBR1MMECTSKCTSSPRKCA
SCHEMBL13223900 1.00 TGFBR1 (0.40) TGFBR1MMECTSKCTSSPRKCA
SCHEMBL8906540 0.84 CTSK (0.41) CTSKCTSSCTSLCTSBCA1
SCHEMBL8906526 0.84 CTSK (0.41) CTSKCTSSCTSLCTSBCA1
SCHEMBL19318525 0.82 CTSS (0.34) CTSKCTSSCTSLCTSBCA1
SCHEMBL8906249 0.82 CTSS (0.34) CTSKCTSSCTSLCTSBCA1
SCHEMBL13223906 0.81 CTSL (0.44) CTSKCTSSCTSLCTSB
SCHEMBL12598695 0.81 CTSK (0.44) CTSKCTSSCTSLCA1CA2
SCHEMBL13223901 0.81 CTSL (0.44) CTSKCTSSCTSLCTSB
SCHEMBL14930706 0.81 CTSS (0.35) CTSKCTSS

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-20100215618-A1 NOVEL COMPOUNDS - 644 ARROW THERAPEUTICS LIMITED (GB) 2010-08-26 — — 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-20100215618-A1 NOVEL COMPOUNDS - 644 NR1H4, HAVCR2, CYP3A4 TGFBR1 567/4885MME 2049/4885CTSK 3637/4885

“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.

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