SCHEMBL22886627

SCHEMBL22886627

COC(=O)C(O)C(Cc1ccccc1)NC(=O)c1cn(C)nc1-c1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 2/20 0.48
▸ DCAF1 Q9Y4B6 1/20 0.44
▸ TACR3 P29371 1/20 0.41
▸ CTSV O60911 1/20 0.40
▸ CTSL P07711 1/20 0.40
▸ CTSS P25774 1/20 0.40
▸ CTSK P43235 1/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ PSMB5 P28074 3/20 0.40
▸ F2 P00734 1/20 0.40
▸ F10 P00742 1/20 0.40
▸ PRSS1 P07477 1/20 0.40
▸ CNR1 P21554 2/20 0.39
▸ CNR2 P34972 2/20 0.39
▸ CTSA P10619 2/20 0.39
▸ ROCK2 O75116 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TP53 P04637 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
SCHEMBL20028717 0.91 DCAF1 (0.50) PYGLDCAF1TACR3CTSVCTSL
SCHEMBL20027723 0.91 PYGL (0.52) PYGLDCAF1TACR3CTSVCTSL
SCHEMBL22885979 0.84 PYGL (0.46) PYGLDCAF1TACR3CTSLKMT2A
SCHEMBL22886636 0.83 DCAF1 (0.48) DCAF1TACR3CTSVCTSLCTSS
SCHEMBL29961519 0.83 DCAF1 (0.48) DCAF1TACR3CTSVCTSLCTSS
SCHEMBL21854327 0.82 DCAF1 (0.53) DCAF1CTSVCTSLCTSSCTSK
SCHEMBL20027495 0.82 DCAF1 (0.53) DCAF1CTSVCTSLCTSSCTSK
SCHEMBL20027718 0.82 DCAF1 (0.51) PYGLDCAF1CTSVCTSLCTSS
SCHEMBL22897243 0.82 DCAF1 (0.51) PYGLDCAF1CTSVCTSLCTSS
SCHEMBL22886629 0.82 DCAF1 (0.50) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210009564-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPERTICS INC (US) 2021-01-14 — — 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-20210009564-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN9, CAPN1 PYGL 719/4885DCAF1 2355/4885TACR3 4071/4885

“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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