SCHEMBL20027549

SCHEMBL20027549

COc1ccc(CC(NC(=O)c2c(C)noc2-c2ccccc2)C(=O)C(N)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.50
▸ CAPN1 P07384 11/20 0.49
▸ ITGB1 P05556 3/20 0.46
▸ ITGA4 P13612 2/20 0.46
▸ ITGB7 P26010 1/20 0.46
▸ MME P08473 1/20 0.44
▸ TRPA1 O75762 1/20 0.44
▸ ITGB3 P05106 1/20 0.44
▸ ITGAV P06756 1/20 0.44
▸ ITGA5 P08648 1/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ FPR2 P25090 1/20 0.43
▸ PIN1 Q13526 1/20 0.42

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
SCHEMBL21854227 1.00 BACE1 (0.50) BACE1CAPN1ITGB1ITGA4ITGB7
SCHEMBL20028628 0.91 CAPN1 (0.52) CAPN1ITGB1ITGA4TRPA1
SCHEMBL30133690 0.91 CAPN1 (0.52) CAPN1ITGB1ITGA4TRPA1
SCHEMBL21854203 0.89 CAPN1 (0.46) CAPN1ITGB1ITGA4ITGB7TRPA1
SCHEMBL20027561 0.89 CAPN1 (0.46) CAPN1ITGB1ITGA4ITGB7TRPA1
SCHEMBL20027514 0.88 CAPN1 (0.46) CAPN1ITGB1ITGA4ITGB7TRPA1
SCHEMBL22897249 0.86 CAPN1 (0.48) CAPN1TRPA1
SCHEMBL21854247 0.85 TRPA1 (0.46) BACE1CAPN1ITGB1ITGA4ITGB7
SCHEMBL21854249 0.85 TRPA1 (0.46) BACE1CAPN1ITGB1ITGA4ITGB7
SCHEMBL22895826 0.83 BACE1 (0.51) BACE1CAPN1ITGB1ITGA4ITGB7

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 6 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-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
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 BACE1 465/4885CAPN1 3/4885ITGB1 3429/4885
US-10934261-B2 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 BACE1 465/4885CAPN1 3/4885ITGB1 3429/4885
US-10894776-B2 — CAPNS1, CAPN9, CAPN2 BACE1 254/4885CAPN1 4/4885ITGB1 2849/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 BACE1 465/4885CAPN1 3/4885ITGB1 3429/4885
US-20220324814-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN9, CAPN1 BACE1 465/4885CAPN1 3/4885ITGB1 3429/4885

“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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