SCHEMBL22897070

SCHEMBL22897070

NC(=O)C(=O)C(Cc1ccco1)NC(=O)c1cn[nH]c1-c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 12/20 0.45
▸ DCAF1 Q9Y4B6 5/20 0.41
▸ HSP90AA1 P07900 1/20 0.40
▸ HSP90AB1 P08238 1/20 0.40
▸ CTSS P25774 1/20 0.39
▸ TSHR P16473 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL22896879 0.85 DCAF1 (0.44) CAPN1DCAF1CTSS
SCHEMBL22897074 0.85 CAPN1 (0.55) CAPN1DCAF1CTSS
SCHEMBL22896629 0.84 CAPN1 (0.48) CAPN1DCAF1CTSS
SCHEMBL22896922 0.84 CAPN1 (0.49) CAPN1DCAF1CTSS
SCHEMBL22896771 0.83 CAPN1 (0.43) CAPN1DCAF1CTSS
SCHEMBL22897190 0.83 CAPN1 (0.39) CAPN1CTSSTSHRALOX15MAPK1
SCHEMBL22896909 0.83 CAPN1 (0.44) CAPN1CTSSTSHRALOX15MAPK1
SCHEMBL22895932 0.82 CAPN1 (0.43) CAPN1CTSSTSHRALOX15MAPK1
SCHEMBL22896815 0.82 DCAF1 (0.44) CAPN1DCAF1CTSS
SCHEMBL22896454 0.82 CAPN1 (0.44) CAPN1CTSSTSHRALOX15MAPK1

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 3/4885DCAF1 3091/4885HSP90AA1 224/4885
US-10894776-B2 — CAPNS1, CAPN9, CAPN2 CAPN1 4/4885DCAF1 3598/4885HSP90AA1 264/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 CAPN1 3/4885DCAF1 3091/4885HSP90AA1 224/4885

“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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