SCHEMBL22886561

SCHEMBL22886561

COC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1nsnc1-c1ccc(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ ATM Q13315 1/20 0.42
▸ CTSA P10619 1/20 0.39
▸ FTO Q9C0B1 2/20 0.39
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ TACR3 P29371 1/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ FDPS P14324 1/20 0.38
▸ GABRA5 P31644 1/20 0.38
▸ CTSB P07858 1/20 0.38
▸ CTSS P25774 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ CAPN1 P07384 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
SCHEMBL21410716 0.95 FTO (0.42) L3MBTL1ATMFTOTACR3POLB
SCHEMBL22886730 0.91 L3MBTL1 (0.41) L3MBTL1ATMFTOPPARGPPARA
SCHEMBL22886544 0.86 L3MBTL1 (0.44) L3MBTL1CTSAFTOPOLBMAPT
SCHEMBL22886426 0.84 FTO (0.42) L3MBTL1FTOPOLBMAPTTDP1
SCHEMBL22886773 0.83 CAPN1 (0.51) TACR3POLBMAPTTDP1CAPN1
SCHEMBL22886761 0.83 RAB9A (0.40) L3MBTL1CTSAFTOTACR3POLB
SCHEMBL22886566 0.83 CAPN1 (0.43) CTSBCTSSCAPN1
SCHEMBL20028431 0.82 CAPN1 (0.53) CTSBCTSSCAPN1
SCHEMBL21854063 0.82 CAPN1 (0.53) CTSBCTSSCAPN1
SCHEMBL22886851 0.81 CAPN1 (0.38) FTOTACR3POLBMAPTTDP1

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 3275/4885ATM 3926/4885CTSA 77/4885

“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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