SCHEMBL23355175

SCHEMBL23355175

NC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)c1c(F)cccc1F

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 3/20 0.59
▸ ICAM1 P05362 3/20 0.59
▸ ITGAL P20701 3/20 0.59
▸ CAPN1 P07384 10/20 0.57
▸ ITGA4 P13612 3/20 0.57
▸ PSMB1 P20618 1/20 0.57
▸ PSMB5 P28074 1/20 0.57
▸ PSMB2 P49721 1/20 0.57
▸ ITGB1 P05556 1/20 0.53
▸ CTSL P07711 2/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ CTSB P07858 1/20 0.48

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 1.00 ITGB2 (0.59) ITGB2ICAM1ITGALCAPN1ITGA4
SCHEMBL24009788 0.91 L3MBTL1 (0.63) ITGB2ICAM1ITGALCAPN1ITGA4
SCHEMBL24008798 0.91 CAPN1 (0.52) ITGB2ICAM1ITGALCAPN1ITGA4
SCHEMBL23355184 0.90 CAPN1 (0.58) ITGB2ICAM1ITGALCAPN1ITGA4
SCHEMBL23355185 0.90 CAPN1 (0.58) ITGB2ICAM1ITGALCAPN1ITGA4
SCHEMBL24008794 0.89 ITGA4 (0.62) ITGB2ICAM1ITGALCAPN1ITGA4
SCHEMBL29961431 0.89 ITGA4 (0.62) ITGB2ICAM1ITGALCAPN1ITGA4
SCHEMBL24008799 0.84 CAPN1 (0.58) ITGB2ICAM1ITGALCAPN1ITGA4
SCHEMBL29961792 0.84 CAPN1 (0.58) ITGB2ICAM1ITGALCAPN1ITGA4
SCHEMBL24010407 0.84 CAPN1 (0.60) ITGB2ICAM1ITGALCAPN1ITGA4

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 3 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

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 ITGB2 2658/4885ICAM1 3654/4885ITGAL 3436/4885
US-20220347173-A1 METHODS OF TREATING LIVER FIBROSIS USING CALPAIN INHIBITORS CAPNS1, CAPN9, CAPN2 ITGB2 2302/4885ICAM1 4214/4885ITGAL 2500/4885

“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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