SCHEMBL22886842

SCHEMBL22886842

Cn1cc(C(=O)NC(Cc2ccccc2)C(O)C(N)=O)c(-c2cccc3ocnc23)n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DCAF1 Q9Y4B6 1/20 0.39
▸ PYGL P06737 1/20 0.38
▸ CCR1 P32246 11/20 0.36
▸ CNR1 P21554 3/20 0.36
▸ CNR2 P34972 3/20 0.36
▸ CAPN1 P07384 1/20 0.34
▸ CTSV O60911 1/20 0.34
▸ CTSL P07711 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ F2 P00734 1/20 0.34
▸ F10 P00742 1/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ PRSS2 P07478 1/20 0.34
▸ PRSS3 P35030 1/20 0.34
▸ CARM1 Q86X55 1/20 0.33

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
SCHEMBL22886648 0.86 CAPN1 (0.48) CAPN1CTSS
SCHEMBL20028606 0.82 PYGL (0.43) DCAF1PYGLCCR1CNR1CNR2
SCHEMBL22886551 0.81 PYGL (0.41) DCAF1PYGLCNR1CNR2CARM1
SCHEMBL22885920 0.79 PYGL (0.40) DCAF1PYGLCCR1CNR1CNR2
SCHEMBL22886791 0.79 DCAF1 (0.39) DCAF1PYGLCCR1CNR1CNR2
SCHEMBL22886565 0.78 DCAF1 (0.37) DCAF1PYGLCCR1CNR1CNR2
SCHEMBL20027617 0.78 PYGL (0.43) DCAF1PYGLCCR1CNR1CNR2
SCHEMBL22886578 0.78 IDO1 (0.44) DCAF1PYGLCCR1CNR1CNR2
SCHEMBL22897214 0.77 DCAF1 (0.51) DCAF1PYGLCNR1CNR2CTSV
SCHEMBL20027914 0.76 DCAF1 (0.48) DCAF1PYGLCAPN1

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 DCAF1 2355/4885PYGL 719/4885CCR1 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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