SCHEMBL22897244

SCHEMBL22897244

COC(=O)C(O)[C@H](CCc1ccccc1)NC(=O)c1cn(C)nc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DCAF1 Q9Y4B6 1/20 0.46
▸ PYGL P06737 1/20 0.41
▸ F10 P00742 2/20 0.41
▸ F2 P00734 1/20 0.41
▸ PRSS1 P07477 1/20 0.41
▸ POLB P06746 2/20 0.40
▸ KLKB1 P03952 1/20 0.39
▸ KLK1 P06870 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ TACR3 P29371 1/20 0.38
▸ HCRTR1 O43613 1/20 0.38
▸ HCRTR2 O43614 1/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CTSV O60911 1/20 0.38
▸ CTSL P07711 1/20 0.38
▸ CTSS P25774 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ TEAD2 Q15562 1/20 0.38

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
SCHEMBL20027723 0.90 PYGL (0.52) DCAF1PYGLF10F2PRSS1
SCHEMBL22886627 0.81 PYGL (0.48) DCAF1PYGLF10F2PRSS1
SCHEMBL22897243 0.81 DCAF1 (0.51) DCAF1PYGLKLKB1KLK1KMT2A
SCHEMBL20027718 0.81 DCAF1 (0.51) DCAF1PYGLKLKB1KLK1KMT2A
SCHEMBL20027909 0.80 DCAF1 (0.53) DCAF1POLBKLKB1KLK1CTSV
SCHEMBL23269324 0.80 DCAF1 (0.50) DCAF1POLBKLKB1KLK1MAPT
SCHEMBL22886530 0.77 PYGL (0.46) PYGLF10F2PRSS1POLB
SCHEMBL22885979 0.77 PYGL (0.46) DCAF1PYGLPOLBMAPTTACR3
SCHEMBL20027722 0.75 DCAF1 (0.48) DCAF1KLKB1KLK1MAPTCTSV
SCHEMBL22886415 0.74 DCAF1 (0.52) DCAF1TACR3CTSVCTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339130-B1 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-05-24 — — US disclosed
US-10934261-B2 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2021-03-02 — — US disclosed
US-10894776-B2 — — 2021-01-19 — — 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 (3 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-10934261-B2 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 DCAF1 3091/4885PYGL 925/4885F10 4552/4885
US-10894776-B2 — CAPNS1, CAPN9, CAPN2 DCAF1 3598/4885PYGL 668/4885F10 4424/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 DCAF1 3091/4885PYGL 925/4885F10 4552/4885

“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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