SCHEMBL24008798

SCHEMBL24008798

NC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)c1c(F)cccc1I

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 10/20 0.52
▸ ITGB2 P05107 3/20 0.50
▸ ICAM1 P05362 3/20 0.50
▸ ITGAL P20701 3/20 0.50
▸ PSMB1 P20618 1/20 0.49
▸ PSMB5 P28074 1/20 0.49
▸ PSMB2 P49721 1/20 0.49
▸ ITGA4 P13612 3/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ CTSL P07711 2/20 0.46
▸ ITGB1 P05556 1/20 0.46
▸ CTSB P07858 1/20 0.44
▸ HPGDS O60760 1/20 0.44

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
SCHEMBL23355176 0.91 ITGB2 (0.59) CAPN1ITGB2ICAM1ITGALPSMB1
SCHEMBL23355175 0.91 ITGB2 (0.59) CAPN1ITGB2ICAM1ITGALPSMB1
SCHEMBL24009788 0.86 L3MBTL1 (0.63) CAPN1ITGB2ICAM1ITGALPSMB1
SCHEMBL29961431 0.84 ITGA4 (0.62) CAPN1ITGB2ICAM1ITGALPSMB1
SCHEMBL24008794 0.84 ITGA4 (0.62) CAPN1ITGB2ICAM1ITGALPSMB1
SCHEMBL23355185 0.81 CAPN1 (0.58) CAPN1ITGB2ICAM1ITGALPSMB1
SCHEMBL23355184 0.81 CAPN1 (0.58) CAPN1ITGB2ICAM1ITGALPSMB1
SCHEMBL24008799 0.79 CAPN1 (0.58) CAPN1ITGB2ICAM1ITGALPSMB1
SCHEMBL29961792 0.79 CAPN1 (0.58) CAPN1ITGB2ICAM1ITGALPSMB1
SCHEMBL24010407 0.79 CAPN1 (0.60) CAPN1ITGB2ICAM1ITGALPSMB5

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 2 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

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 CAPN1 1/4885ITGB2 2658/4885ICAM1 3654/4885
US-20220347173-A1 METHODS OF TREATING LIVER FIBROSIS USING CALPAIN INHIBITORS CAPNS1, CAPN9, CAPN2 CAPN1 4/4885ITGB2 2302/4885ICAM1 4214/4885

“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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