SCHEMBL22896909

SCHEMBL22896909

NC(=O)C(=O)C(Cc1ccco1)NC(=O)c1c[nH]cc1-c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 18/20 0.44
▸ CTSS P25774 1/20 0.40
▸ TSHR P16473 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL22897169 0.85 CAPN1 (0.56) CAPN1CTSS
SCHEMBL22897189 0.85 CAPN1 (0.44) CAPN1CTSS
SCHEMBL22896633 0.85 CAPN1 (0.39) CAPN1CTSSTSHRALOX15MAPK1
SCHEMBL22896764 0.85 CAPN1 (0.45) CAPN1CTSSTSHRALOX15MAPK1
SCHEMBL22896910 0.84 CAPN1 (0.42) CAPN1CTSSTSHRALOX15MAPK1
SCHEMBL22897067 0.84 CAPN1 (0.47) CAPN1CTSS
SCHEMBL22896892 0.83 CAPN1 (0.48) CAPN1CTSS
SCHEMBL22896877 0.83 CAPN1 (0.49) CAPN1CTSS
SCHEMBL22896575 0.83 CAPN1 (0.40) CAPN1CTSSTSHRALOX15MAPK1
SCHEMBL22897178 0.83 CAPN1 (0.44) CAPN1CTSS

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 3/4885CTSS 210/4885TSHR 4380/4885
US-10894776-B2 — CAPNS1, CAPN9, CAPN2 CAPN1 4/4885CTSS 199/4885TSHR 4691/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 CAPN1 3/4885CTSS 210/4885TSHR 4380/4885

“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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