SCHEMBL22886539

SCHEMBL22886539

O=C(O)C(=O)C(Cc1ccc(F)cc1)NC(=O)c1nsnc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.42
▸ CAPN1 P07384 3/20 0.41
▸ CA2 P00918 1/20 0.39
▸ PSMB5 P28074 1/20 0.39
▸ USP30 Q70CQ3 2/20 0.39
▸ SCN9A Q15858 1/20 0.38
▸ GPR34 Q9UPC5 2/20 0.38
▸ TLR3 O15455 1/20 0.38
▸ MME P08473 1/20 0.38
▸ PTGDR2 Q9Y5Y4 2/20 0.37
▸ ITGB1 P05556 1/20 0.37
▸ ITGA4 P13612 1/20 0.37
▸ ITGB7 P26010 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
SCHEMBL22886426 0.92 FTO (0.42) ALDH1A1CAPN1
SCHEMBL20028068 0.91 CAPN1 (0.48) ALDH1A1CAPN1CA2SCN9A
SCHEMBL22886096 0.88 CAPN1 (0.51) CAPN1
SCHEMBL22886730 0.86 L3MBTL1 (0.41) CAPN1
SCHEMBL22885869 0.83 CAPN1 (0.40) CAPN1PSMB5ITGB1ITGA4
SCHEMBL20028431 0.83 CAPN1 (0.53) CAPN1
SCHEMBL21854063 0.83 CAPN1 (0.53) CAPN1
SCHEMBL22945879 0.83 SCN9A (0.38) ALDH1A1CAPN1CA2PSMB5USP30
SCHEMBL20028398 0.82 CAPN1 (0.45) ALDH1A1CAPN1CA2
SCHEMBL21410716 0.81 FTO (0.42) ALDH1A1CAPN1

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 ALDH1A1 4344/4885CAPN1 3/4885CA2 471/4885

“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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