SCHEMBL22886536

SCHEMBL22886536

O=C(O)C(=O)C(Cc1ccccc1)NC(=O)c1nsnc1-c1ccncn1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 8/20 0.40
▸ MAPK14 Q16539 1/20 0.38
▸ GPR132 Q9UNW8 2/20 0.38
▸ HSPA1A P0DMV8 1/20 0.37
▸ HSPA5 P11021 1/20 0.37
▸ HSPA9 P38646 1/20 0.37
▸ HSPA2 P54652 1/20 0.37
▸ FTO Q9C0B1 2/20 0.36
▸ CTSL P07711 1/20 0.36

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
SCHEMBL21854344 0.92 CAPN1 (0.49) CAPN1
SCHEMBL22886851 0.90 CAPN1 (0.38) CAPN1GPR132FTOCTSL
SCHEMBL22886508 0.89 CAPN1 (0.45) CAPN1GPR132CTSL
SCHEMBL22895963 0.86 CAPN1 (0.42) CAPN1
SCHEMBL22896738 0.84 CAPN1 (0.43) CAPN1GPR132
SCHEMBL22886426 0.84 FTO (0.42) CAPN1FTO
SCHEMBL20028424 0.82 PYGL (0.40) CAPN1MAPK14
SCHEMBL22896936 0.81 CAPN1 (0.40) CAPN1
SCHEMBL21854095 0.80 CAPN1 (0.54) CAPN1
SCHEMBL22896819 0.80 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 CAPN1 3/4885MAPK14 1828/4885GPR132 1537/4885

“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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