SCHEMBL22886566

SCHEMBL22886566

COC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1nsnc1-c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 10/20 0.43
▸ CTSL P07711 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ CTSS P25774 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ GPR132 Q9UNW8 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ TSHR P16473 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
SCHEMBL22886508 0.90 CAPN1 (0.45) CAPN1CTSLCTSBCTSSKMT2A
SCHEMBL22886851 0.89 CAPN1 (0.38) CAPN1CTSLGPR132
SCHEMBL21854095 0.88 CAPN1 (0.54) CAPN1CTSS
SCHEMBL21410716 0.87 FTO (0.42) CAPN1ALDH1A1
SCHEMBL22886544 0.83 L3MBTL1 (0.44) CAPN1
SCHEMBL22886561 0.83 L3MBTL1 (0.42) CAPN1CTSBCTSS
SCHEMBL23269480 0.83 CAPN1 (0.53) CAPN1
SCHEMBL22896974 0.82 CAPN1 (0.48) CAPN1CTSS
SCHEMBL22886761 0.82 RAB9A (0.40) CAPN1KMT2A
SCHEMBL22896435 0.79 CAPN1 (0.44) CAPN1CTSS

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 3/4885CTSL 257/4885CTSB 79/4885

“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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