SCHEMBL23355192

SCHEMBL23355192

O=CC(Cc1ccccc1)NC(=O)c1c(F)cccc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 3/20 0.56
ITGB1 P05556 2/20 0.53
CAPN1 P07384 8/20 0.50
CTSS P25774 4/20 0.50
CTSK P43235 1/20 0.46
CTSL P07711 1/20 0.44
EPHX2 P34913 1/20 0.43
PSMB1 P20618 1/20 0.42
PSMB5 P28074 1/20 0.42
PSMB2 P49721 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
SCHEMBL23355177 0.89 CAPN1 (0.58) ITGA4CAPN1CTSLPSMB1PSMB5
SCHEMBL24008869 0.84 CAPN1 (0.48) ITGA4ITGB1CAPN1CTSSCTSK
SCHEMBL29961431 0.79 ITGA4 (0.62) ITGA4ITGB1CAPN1CTSLPSMB1
SCHEMBL24008794 0.79 ITGA4 (0.62) ITGA4ITGB1CAPN1CTSLPSMB1
SCHEMBL23355169 0.78 CAPN1 (0.58) ITGA4ITGB1CAPN1PSMB5
SCHEMBL24862869 0.78 CAPN1 (0.69) CAPN1CTSL
SCHEMBL28549630 0.78 ITGA4 (0.53) ITGA4ITGB1CTSLEPHX2PSMB1
SCHEMBL5468240 0.77 ITGA4 (0.54) ITGA4ITGB1EPHX2PSMB1PSMB5
SCHEMBL23355180 0.75 CAPN1 (0.49) ITGA4ITGB1CAPN1
SCHEMBL23571311 0.74 CTSB (0.56) CAPN1

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-20220347173-A1 METHODS OF TREATING LIVER FIBROSIS USING CALPAIN INHIBITORS BLADE THERAPEUTICS INC (US) 2022-11-03 US disclosed
US-20210347727-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. 2021-11-11 US disclosed
EP-3820864-A1 METHODS OF TREATING LIVER FIBROSIS USING CALPAIN INHIBITORS Blade Therapeutics, Inc. (US) 2021-05-19 EP disclosed
CN-112703188-A Method for treating liver fibrosis using calpain inhibitor 布莱德治疗公司 2021-04-23 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 (2 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-20210347727-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPN1, CAPNS1, CAPN2 ITGA4 3780/4885ITGB1 2184/4885CAPN1 1/4885
US-20220347173-A1 METHODS OF TREATING LIVER FIBROSIS USING CALPAIN INHIBITORS CAPNS1, CAPN9, CAPN2 ITGA4 2428/4885ITGB1 2042/4885CAPN1 4/4885

“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.