SCHEMBL22886592

SCHEMBL22886592

COC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1nsnc1-c1cccc2c1OC(F)(F)O2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ S1PR1 P21453 1/20 0.34
▸ CAPN1 P07384 3/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PSMB8 P28062 3/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ FTO Q9C0B1 2/20 0.33
▸ PSMB11 A5LHX3 1/20 0.33
▸ PSMA7 O14818 1/20 0.33
▸ PSMB1 P20618 1/20 0.33
▸ PSMA1 P25786 1/20 0.33
▸ PSMA2 P25787 1/20 0.33
▸ PSMA3 P25788 1/20 0.33
▸ PSMA4 P25789 1/20 0.33
▸ PSMB9 P28065 1/20 0.33
▸ PSMA5 P28066 1/20 0.33
▸ PSMB4 P28070 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
SCHEMBL22886593 0.91 CAPN1 (0.36) MAPTPOLBTDP1S1PR1CAPN1
SCHEMBL20028404 0.90 CAPN1 (0.44) CAPN1
SCHEMBL22886595 0.84 PYGL (0.39) MAPTPOLBTDP1NPC1RAB9A
SCHEMBL22886761 0.83 RAB9A (0.40) MAPTPOLBTDP1S1PR1CAPN1
SCHEMBL22886544 0.82 L3MBTL1 (0.44) MAPTPOLBTDP1S1PR1CAPN1
SCHEMBL21410716 0.81 FTO (0.42) MAPTPOLBTDP1S1PR1CAPN1
SCHEMBL22886453 0.79 EPHX2 (0.45) CAPN1
SCHEMBL22886561 0.76 L3MBTL1 (0.42) MAPTPOLBTDP1CAPN1FTO
SCHEMBL22886566 0.76 CAPN1 (0.43) CAPN1
SCHEMBL20028460 0.74 CAPN1 (0.47) CAPN1

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 MAPT 483/4885POLB 3525/4885TDP1 1873/4885

“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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