SCHEMBL22885920

SCHEMBL22885920

Cn1cc(C(=O)NC(Cc2ccccc2)C(O)C(N)=O)c(-c2cccc3ncsc23)n1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 1/20 0.40
▸ DCAF1 Q9Y4B6 1/20 0.39
▸ CCR1 P32246 12/20 0.38
▸ CNR1 P21554 3/20 0.35
▸ CNR2 P34972 3/20 0.35
▸ CAPN1 P07384 2/20 0.35
▸ CARM1 Q86X55 1/20 0.35

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
SCHEMBL22885919 0.86 CAPN1 (0.50) DCAF1CAPN1
SCHEMBL20028606 0.82 PYGL (0.43) PYGLDCAF1CCR1CNR1CNR2
SCHEMBL22886842 0.79 DCAF1 (0.39) PYGLDCAF1CCR1CNR1CNR2
SCHEMBL22886578 0.78 IDO1 (0.44) PYGLDCAF1CCR1CNR1CNR2
SCHEMBL22886791 0.77 DCAF1 (0.39) PYGLDCAF1CCR1CNR1CNR2
SCHEMBL22885918 0.77 CARM1 (0.35) CARM1
SCHEMBL22897214 0.77 DCAF1 (0.51) PYGLDCAF1CNR1CNR2CARM1
SCHEMBL20027617 0.77 PYGL (0.43) PYGLDCAF1CCR1CNR1CNR2
SCHEMBL20027914 0.76 DCAF1 (0.48) PYGLDCAF1CAPN1
SCHEMBL22885966 0.76 CTSV (0.48) PYGLDCAF1CCR1CNR1CNR2

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 2355/4885CCR1 3791/4885

“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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