SCHEMBL22896007

SCHEMBL22896007

NC(=O)C(=O)C(Cc1c[nH]c2cc[nH]c12)NC(=O)c1nsnc1-c1ccccn1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 9/20 0.37
▸ ITGB2 P05107 4/20 0.35
▸ ICAM1 P05362 4/20 0.35
▸ ITGAL P20701 4/20 0.35
▸ BBOX1 O75936 2/20 0.33
▸ HPGDS O60760 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ SCN9A Q15858 1/20 0.32

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
SCHEMBL22896460 0.88 ITGB2 (0.40) CAPN1ITGB2ICAM1ITGALBBOX1
SCHEMBL22897039 0.88 ITGB2 (0.48) ITGB2ICAM1ITGALBBOX1HPGDS
SCHEMBL22896920 0.87 ITGB2 (0.40) CAPN1ITGB2ICAM1ITGALBBOX1
SCHEMBL22896829 0.87 CAPN1 (0.39) CAPN1CTSS
SCHEMBL22896946 0.86 CAPN1 (0.37) CAPN1ITGB2ICAM1ITGALBBOX1
SCHEMBL22897004 0.86 ITGB2 (0.39) CAPN1ITGB2ICAM1ITGALBBOX1
SCHEMBL22896866 0.86 CAPN1 (0.40) CAPN1CTSS
SCHEMBL22896881 0.86 CAPN1 (0.38) CAPN1ITGB2ICAM1ITGALBBOX1
SCHEMBL22896527 0.85 ITGB2 (0.38) CAPN1ITGB2ICAM1ITGALBBOX1
SCHEMBL22896647 0.85 CAPN1 (0.37) CAPN1ITGB2ICAM1ITGALBBOX1

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 3 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

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 3/4885ITGB2 3672/4885ICAM1 4477/4885
US-10894776-B2 — CAPNS1, CAPN9, CAPN2 CAPN1 4/4885ITGB2 2933/4885ICAM1 4485/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 CAPN1 3/4885ITGB2 3672/4885ICAM1 4477/4885

“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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