SCHEMBL24008795

SCHEMBL24008795

NC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.57
CA1 P00915 1/20 0.54
CAPN1 P07384 6/20 0.54
PTPN1 P18031 1/20 0.53
HPGDS O60760 2/20 0.53
CTSL P07711 3/20 0.53
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
KMT2A Q03164 1/20 0.51
GAA P10253 1/20 0.51
USP30 Q70CQ3 1/20 0.51
CTSB P07858 1/20 0.50
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50

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
SCHEMBL8443478 0.90 CTSL (0.62) CA2CA1CAPN1PTPN1HPGDS
SCHEMBL27002688 0.89 HPGDS (0.65) CA2CA1PTPN1HPGDSCTSL
SCHEMBL2105972 0.89 HPGDS (0.65) CA2CA1PTPN1HPGDSCTSL
SCHEMBL24008817 0.89 HPGDS (0.65) CA2CA1CAPN1PTPN1HPGDS
SCHEMBL2975803 0.86 PTPN1 (0.70) CA2CA1PTPN1CTSLRAB9A
SCHEMBL2975807 0.86 PTPN1 (0.70) CA2CA1PTPN1CTSLRAB9A
SCHEMBL24008816 0.86 HPGDS (0.57) CAPN1HPGDSCTSLKMT2ACTSB
SCHEMBL29961883 0.86 HPGDS (0.57) CAPN1HPGDSCTSLKMT2ACTSB
SCHEMBL29189824 0.84 GAA (0.71) CA2CTSLRAB9AKMT2AGAA
SCHEMBL29189822 0.84 GAA (0.71) CA2CTSLRAB9AKMT2AGAA

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 CA2 273/4885CA1 1245/4885CAPN1 1/4885
US-20220347173-A1 METHODS OF TREATING LIVER FIBROSIS USING CALPAIN INHIBITORS CAPNS1, CAPN9, CAPN2 CA2 451/4885CA1 1681/4885CAPN1 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.