SCHEMBL22886852

SCHEMBL22886852

O=C(O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 19/20 0.46
▸ DCAF1 Q9Y4B6 1/20 0.41
▸ CTSS P25774 1/20 0.40

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
SCHEMBL22886386 0.95 CAPN1 (0.49) CAPN1
SCHEMBL22886401 0.94 CAPN1 (0.45) CAPN1DCAF1
SCHEMBL21854248 0.91 CAPN1 (0.57) CAPN1CTSS
SCHEMBL20027773 0.91 CAPN1 (0.57) CAPN1CTSS
SCHEMBL21854128 0.91 CAPN1 (0.57) CAPN1CTSS
SCHEMBL22886550 0.89 CAPN1 (0.44) CAPN1DCAF1
SCHEMBL22886525 0.88 CAPN1 (0.41) CAPN1CTSS
SCHEMBL22886394 0.87 CAPN1 (0.48) CAPN1CTSS
SCHEMBL22886823 0.87 L3MBTL1 (0.43) CAPN1
SCHEMBL22886500 0.86 DCAF1 (0.54) CAPN1DCAF1CTSS

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 CAPN1 3/4885DCAF1 2355/4885CTSS 177/4885

“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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