SCHEMBL18019205

SCHEMBL18019205

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LARS1 Q9P2J5 2/20 0.61
ACACB O00763 1/20 0.51
BCL2 P10415 6/20 0.51
MMP13 P45452 2/20 0.49
CTSB P07858 3/20 0.48
CTSS P25774 2/20 0.48
CTSK P43235 2/20 0.48
MCL1 Q07820 1/20 0.48
ADAM17 P78536 1/20 0.47
REN P00797 1/20 0.47
KAT6A Q92794 1/20 0.47
AAK1 Q2M2I8 1/20 0.47
CTSL P07711 1/20 0.46
RAPGEF3 O95398 1/20 0.43
CAPN1 P07384 1/20 0.43

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
SCHEMBL18019200 0.90 LARS1 (0.48) LARS1BCL2MMP13CTSBCTSS
SCHEMBL18019117 0.87 BCL2 (0.61) LARS1BCL2MMP13CTSBCTSS
SCHEMBL19801193 0.86 LARS1 (0.62) LARS1BCL2MMP13CTSBCTSS
SCHEMBL18019202 0.86 BCL2 (0.63) LARS1BCL2MMP13CTSBCTSS
SCHEMBL18019119 0.85 MMP13 (0.65) LARS1BCL2MMP13CTSBCTSS
SCHEMBL19792935 0.84 BCL2 (0.49) LARS1BCL2CTSBCTSSCTSK
SCHEMBL19792922 0.83 AAK1 (0.57) LARS1BCL2MMP13CTSBCTSS
SCHEMBL19792923 0.83 BCL2 (0.48) LARS1BCL2CTSBCTSSCTSK
SCHEMBL31650940 0.83 AAK1 (0.57) LARS1BCL2MMP13CTSBCTSS
SCHEMBL18019120 0.83 BCL2 (0.49) LARS1BCL2MMP13CTSBCTSS

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 LARS1 72/4885ACACB 782/4885BCL2 4465/4885
US-11072581-B2 N-acyl-arylsulfonamide derivatives as aminoacyl-tRNA synthetase inhibitors AARS1, ASNS, GARS1 LARS1 77/4885ACACB 790/4885BCL2 4486/4885

“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.