SCHEMBL20027722

SCHEMBL20027722

Cn1cc(C(=O)N[C@@H](Cc2ccccc2)C(O)C#N)c(-c2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DCAF1 Q9Y4B6 1/20 0.48
▸ CTSL P07711 7/20 0.47
▸ CTSS P25774 6/20 0.47
▸ CTSK P43235 5/20 0.47
▸ CTSV O60911 3/20 0.47
▸ KDM5B Q9UGL1 2/20 0.40
▸ KLKB1 P03952 1/20 0.40
▸ KLK1 P06870 1/20 0.40
▸ CTSB P07858 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CAPN1 P07384 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
SCHEMBL20027718 0.87 DCAF1 (0.51) DCAF1CTSLCTSSCTSKCTSV
SCHEMBL22897243 0.87 DCAF1 (0.51) DCAF1CTSLCTSSCTSKCTSV
SCHEMBL20028239 0.85 DCAF1 (0.46) DCAF1CTSLCTSSCTSKCTSV
SCHEMBL20027723 0.83 PYGL (0.52) DCAF1CTSLCTSSCTSKCTSV
SCHEMBL22886500 0.79 DCAF1 (0.54) DCAF1CTSLCTSSCTSKCTSV
SCHEMBL20027914 0.78 DCAF1 (0.48) DCAF1ALDH1A1CAPN1
SCHEMBL20027878 0.78 CAPN1 (0.55) DCAF1CTSLCTSSCTSKCTSV
SCHEMBL20027730 0.78 CAPN1 (0.55) DCAF1CTSLCTSSCTSKCTSV
SCHEMBL23268990 0.77 CAPN1 (0.59) DCAF1CTSSCAPN1
SCHEMBL20028632 0.77 CAPN1 (0.59) DCAF1CTSSCAPN1

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 DCAF1 3091/4885CTSL 234/4885CTSS 210/4885
US-10894776-B2 — CAPNS1, CAPN9, CAPN2 DCAF1 3598/4885CTSL 242/4885CTSS 199/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 DCAF1 3091/4885CTSL 234/4885CTSS 210/4885

“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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