SCHEMBL18019199

SCHEMBL18019199

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NS(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.49
CTSK P43235 2/20 0.49
ANPEP P15144 2/20 0.47
CTSL P07711 2/20 0.46
CTSB P07858 1/20 0.46
ADAM17 P78536 1/20 0.46
USP30 Q70CQ3 1/20 0.46
REN P00797 2/20 0.46
AAK1 Q2M2I8 1/20 0.45
BCL2 P10415 1/20 0.45
NTSR1 P30989 1/20 0.44
MAP1LC3B Q9GZQ8 1/20 0.43
MAP1LC3A Q9H492 1/20 0.43
MMP13 P45452 1/20 0.43
CASP1 P29466 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PLA2G1B P04054 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 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
SCHEMBL19792931 0.88 MMP1 (0.43) CTSSCTSKCTSLCTSBADAM17
SCHEMBL18019201 0.86 CTSL (0.46) CTSSCTSKCTSLCTSBUSP30
SCHEMBL18019164 0.86 PTGS2 (0.44) CTSSCTSKCTSLCTSBUSP30
SCHEMBL19792926 0.85 CTSK (0.48) CTSSCTSKANPEPCTSLCTSB
SCHEMBL19792924 0.85 CTSS (0.48) CTSSCTSKCTSLCTSBREN
SCHEMBL19801165 0.85 FABP4 (0.44) CTSSCTSKANPEPCTSLCTSB
SCHEMBL18019118 0.84 CTSK (0.50) CTSSCTSKCTSLCTSBREN
SCHEMBL19792929 0.84 ADAM17 (0.49) CTSSCTSKCTSLCTSBADAM17
SCHEMBL18019117 0.83 BCL2 (0.61) CTSSCTSKCTSLCTSBREN
SCHEMBL18019205 0.82 LARS1 (0.61) CTSSCTSKCTSLCTSBADAM17

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-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
WO-2016129983-A1 NOVEL N-ACYL-ARYLSULFONAMIDE DERIVATIVES AS AMINOACYL-TRNA SYNTHETASE INHIBITORS LATVIAN INSTITUTE OF ORGANIC SYNTHESIS (LV) 2016-08-18 WO 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 CTSS 436/4885CTSK 2663/4885ANPEP 50/4885
US-11072581-B2 N-acyl-arylsulfonamide derivatives as aminoacyl-tRNA synthetase inhibitors AARS1, ASNS, GARS1 CTSS 424/4885CTSK 2607/4885ANPEP 37/4885

“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.