SCHEMBL20028085

SCHEMBL20028085

CC(C)CC(NC(=O)c1nsnc1-c1ccccc1)C(=O)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 5/20 0.42
▸ HPGDS O60760 2/20 0.41
▸ CNR1 P21554 2/20 0.40
▸ CAPN1 P07384 1/20 0.40
▸ TAS1R3 Q7RTX0 2/20 0.40
▸ TAS1R1 Q7RTX1 2/20 0.40
▸ S1PR4 O95977 1/20 0.39
▸ S1PR1 P21453 1/20 0.39
▸ CTSB P07858 2/20 0.39
▸ GRN P28799 1/20 0.39
▸ SORT1 Q99523 1/20 0.39
▸ CTSL P07711 2/20 0.39
▸ CTSS P25774 1/20 0.39
▸ CTSK P43235 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
SCHEMBL20028076 0.85 CTSS (0.39) CTSSCTSK
SCHEMBL20028431 0.85 CAPN1 (0.53) CAPN1CTSBCTSLCTSS
SCHEMBL21854063 0.85 CAPN1 (0.53) CAPN1CTSBCTSLCTSS
SCHEMBL20028086 0.84 CAPN1 (0.53) CNR2CNR1CAPN1CTSK
SCHEMBL20028067 0.83 CAPN1 (0.41) CNR1CAPN1CTSS
SCHEMBL20028075 0.81 CAPN1 (0.44) CAPN1CTSBCTSL
SCHEMBL22896789 0.81 CAPN1 (0.46) CAPN1CTSSCTSK
SCHEMBL22896318 0.81 CAPN1 (0.48) CAPN1CTSS
SCHEMBL22897219 0.80 CAPN1 (0.42) HPGDSCAPN1
SCHEMBL21854216 0.80 CAPN1 (0.52) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220324814-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS INC (US) 2022-10-13 — — US disclosed
US-11339130-B1 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-05-24 — — US disclosed
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-10934261-B2 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2021-03-02 — — US disclosed
WO-2021021816-A1 CALPAIN INHIBITORS AND USES THEREOF FOR TREATING NEUROLOGICAL DISORDERS BLADE THERAPEUTICS, INC. (US) 2021-02-04 — — WO disclosed
US-10894776-B2 — — 2021-01-19 — — US disclosed
US-10894776-B2 — — 2021-01-19 — — US disclosed
US-20200123114-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2020-04-23 — — 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 (5 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-20200123114-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN9, CAPN1 CNR2 3409/4885HPGDS 1604/4885CNR1 3073/4885
US-10934261-B2 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 CNR2 3409/4885HPGDS 1604/4885CNR1 3073/4885
US-10894776-B2 — CAPNS1, CAPN9, CAPN2 CNR2 2995/4885HPGDS 1339/4885CNR1 2961/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 CNR2 3409/4885HPGDS 1604/4885CNR1 3073/4885
US-20220324814-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN9, CAPN1 CNR2 3409/4885HPGDS 1604/4885CNR1 3073/4885

“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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