SCHEMBL22886531

SCHEMBL22886531

COC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C2CC2)nc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.43
▸ CAPN1 P07384 15/20 0.43
▸ TACR3 P29371 1/20 0.42
▸ GAA P10253 1/20 0.40

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
SCHEMBL22886558 0.94 CAPN1 (0.44) BTKCAPN1TACR3
SCHEMBL22886377 0.90 CAPN1 (0.45) BTKCAPN1
SCHEMBL22885866 0.90 ACE (0.40) CAPN1TACR3GAA
SCHEMBL22886527 0.89 CAPN1 (0.46) CAPN1
SCHEMBL22886870 0.89 CAPN1 (0.38) CAPN1GAA
SCHEMBL20027721 0.88 CAPN1 (0.55) CAPN1
SCHEMBL30133598 0.88 CAPN1 (0.55) CAPN1
SCHEMBL22886878 0.86 CAPN1 (0.42) CAPN1
SCHEMBL22886415 0.86 DCAF1 (0.52) CAPN1TACR3
SCHEMBL22886516 0.84 CAPN1 (0.47) BTKCAPN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220347173-A1 METHODS OF TREATING LIVER FIBROSIS USING CALPAIN INHIBITORS BLADE THERAPEUTICS INC (US) 2022-11-03 — — US disclosed
CN-112703188-A Method for treating liver fibrosis using calpain inhibitor 布莱德治疗公司 2021-04-23 — — CN disclosed
US-20210113560-A1 METHOD OF TREATING FIBROTIC DISEASE BLADE THERAPEUTICS INC (US) 2021-04-22 — — US disclosed
US-20210009564-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPERTICS INC (US) 2021-01-14 — — US disclosed
CN-112204014-A Calpain modulators and therapeutic uses thereof 布莱德治疗公司 2021-01-08 — — CN 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-20220347173-A1 METHODS OF TREATING LIVER FIBROSIS USING CALPAIN INHIBITORS CAPNS1, CAPN9, CAPN2 BTK 4610/4885CAPN1 4/4885TACR3 3285/4885
US-20210009564-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN9, CAPN1 BTK 4489/4885CAPN1 3/4885TACR3 4071/4885
US-20210113560-A1 METHOD OF TREATING FIBROTIC DISEASE CAPN9, CAPNS1, CAPN1 BTK 4475/4885CAPN1 3/4885TACR3 4542/4885

“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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