SCHEMBL19792931

SCHEMBL19792931

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NS(=O)(=O)c1cccc2ccncc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.43
ADAM17 P78536 1/20 0.43
CTSS P25774 2/20 0.42
CTSK P43235 2/20 0.42
CTSL P07711 2/20 0.42
CTSB P07858 1/20 0.42
AAK1 Q2M2I8 1/20 0.41
EGFR P00533 1/20 0.40
REN P00797 2/20 0.40
MAP1LC3B Q9GZQ8 1/20 0.40
MAP1LC3A Q9H492 1/20 0.40
PTPRB P23467 1/20 0.40
BCL2 P10415 1/20 0.40
LARS1 Q9P2J5 1/20 0.39
CYP3A4 P08684 1/20 0.39
USP30 Q70CQ3 1/20 0.39
BACE1 P56817 1/20 0.39
P2RX7 Q99572 1/20 0.38

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
SCHEMBL18019199 0.88 CTSS (0.49) ADAM17CTSSCTSKCTSLCTSB
SCHEMBL18019203 0.84 AAK1 (0.45) MMP1ADAM17CTSSCTSKCTSL
SCHEMBL19792929 0.83 ADAM17 (0.49) MMP1ADAM17CTSSCTSKCTSL
SCHEMBL18019185 0.80 LARS1 (0.57) MMP1ADAM17AAK1LARS1CYP3A4
SCHEMBL19792933 0.79 EGFR (0.39) CTSSCTSKCTSLCTSBAAK1
SCHEMBL18019220 0.79 LARS1 (0.65) CTSSCTSKCTSLCTSBAAK1
SCHEMBL18019164 0.79 PTGS2 (0.44) MMP1CTSSCTSKCTSLCTSB
SCHEMBL18019211 0.79 AAK1 (0.37) MMP1ADAM17CTSSCTSKCTSL
SCHEMBL19792924 0.78 CTSS (0.48) CTSSCTSKCTSLCTSBAAK1
SCHEMBL19792926 0.78 CTSK (0.48) CTSSCTSKCTSLCTSBAAK1

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-11072581-B2 N-acyl-arylsulfonamide derivatives as aminoacyl-tRNA synthetase inhibitors Oxford Drug Design Limited (GB) 2021-07-27 US disclosed
US-20180022696-A1 NOVEL N-ACYL-ARYLSULFONAMIDE DERIVATIVES AS AMINOACYL-TRNA SYNTHETASE INHIBITORS THE LATVIAN INSTITUTE OF ORGANIC SYNTHESIS (LV) 2018-01-25 US disclosed
US-20180022696-A1 NOVEL N-ACYL-ARYLSULFONAMIDE DERIVATIVES AS AMINOACYL-TRNA SYNTHETASE INHIBITORS THE LATVIAN INSTITUTE OF ORGANIC SYNTHESIS (LV) 2018-01-25 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-20180022696-A1 NOVEL N-ACYL-ARYLSULFONAMIDE DERIVATIVES AS AMINOACYL-TRNA SYNTHETASE INHIBITORS AARS1, GARS1, ASNS MMP1 4500/4885ADAM17 3495/4885CTSS 436/4885
US-11072581-B2 N-acyl-arylsulfonamide derivatives as aminoacyl-tRNA synthetase inhibitors AARS1, ASNS, GARS1 MMP1 4352/4885ADAM17 3400/4885CTSS 424/4885

“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.