SCHEMBL22886544

SCHEMBL22886544

COC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1nsnc1-c1ccccc1C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CAPN1 P07384 7/20 0.39
▸ FTO Q9C0B1 2/20 0.39
▸ MAPT P10636 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CTSA P10619 1/20 0.38
▸ S1PR1 P21453 1/20 0.37
▸ SCN3A Q9NY46 1/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ RAB9A P51151 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
SCHEMBL22886543 0.91 L3MBTL1 (0.46) L3MBTL1CAPN1FTOMAPTPOLB
SCHEMBL22886761 0.89 RAB9A (0.40) L3MBTL1CAPN1FTOMAPTPOLB
SCHEMBL20027860 0.89 CAPN1 (0.52) L3MBTL1CAPN1
SCHEMBL21410716 0.88 FTO (0.42) L3MBTL1CAPN1FTOMAPTPOLB
SCHEMBL22886561 0.86 L3MBTL1 (0.42) L3MBTL1CAPN1FTOMAPTPOLB
SCHEMBL22886453 0.83 EPHX2 (0.45) CAPN1
SCHEMBL22886566 0.83 CAPN1 (0.43) CAPN1
SCHEMBL22886592 0.82 MAPT (0.35) L3MBTL1CAPN1FTOMAPTPOLB
SCHEMBL20028433 0.81 CAPN1 (0.48) L3MBTL1CAPN1
SCHEMBL22886851 0.81 CAPN1 (0.38) CAPN1FTOMAPTPOLBTDP1

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 L3MBTL1 3275/4885CAPN1 3/4885FTO 4735/4885

“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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