SCHEMBL20028635

SCHEMBL20028635

O=CC(Cc1ccccc1)NC(=O)c1scnc1-n1ncc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 15/20 0.42
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
CTSB P07858 1/20 0.35

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
SCHEMBL30133621 1.00 CAPN1 (0.42) CAPN1ITGB1ITGA4ITGB7CTSB
SCHEMBL22897297 1.00 CAPN1 (0.42) CAPN1ITGB1ITGA4ITGB7CTSB
SCHEMBL20028023 0.85 PIN1 (0.45) ITGB1ITGA4ITGB7
SCHEMBL20028029 0.85 PIN1 (0.45) ITGB1ITGA4ITGB7
SCHEMBL20027528 0.83 CAPN1 (0.49) CAPN1ITGB1ITGA4ITGB7CTSB
SCHEMBL21854362 0.83 CAPN1 (0.49) CAPN1ITGB1ITGA4ITGB7CTSB
SCHEMBL20028627 0.80 CAPN1 (0.49) CAPN1CTSB
SCHEMBL20027593 0.80 CAPN1 (0.49) CAPN1CTSB
SCHEMBL21854168 0.79 CAPN1 (0.49) CAPN1ITGB1ITGA4ITGB7
SCHEMBL21854167 0.79 CAPN1 (0.49) CAPN1ITGB1ITGA4ITGB7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339130-B1 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-05-24 US disclosed
US-10934261-B2 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2021-03-02 US disclosed
US-10894776-B2 2021-01-19 US disclosed
WO-2018064119-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2018-04-05 WO 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 (3 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-10934261-B2 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 CAPN1 3/4885ITGB1 3429/4885ITGA4 3989/4885
US-10894776-B2 CAPNS1, CAPN9, CAPN2 CAPN1 4/4885ITGB1 2849/4885ITGA4 3456/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 CAPN1 3/4885ITGB1 3429/4885ITGA4 3989/4885

“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.