SCHEMBL19792929

SCHEMBL19792929

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NS(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 3/20 0.49
MMP1 P03956 2/20 0.49
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
NTSR1 P30989 2/20 0.47
POLB P06746 1/20 0.44
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
AAK1 Q2M2I8 1/20 0.43
BCL2 P10415 1/20 0.42
SLC40A1 Q9NP59 1/20 0.42
CASP1 P29466 1/20 0.42
CASP3 P42574 1/20 0.42
CASP7 P55210 1/20 0.42
CASP6 P55212 1/20 0.42
CASP8 Q14790 1/20 0.42
TP53 P04637 1/20 0.41

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 0.84 CTSS (0.49) ADAM17ALDH1A1KDM4EMAPTNTSR1
SCHEMBL19792931 0.83 MMP1 (0.43) ADAM17MMP1CTSLCTSBCTSS
SCHEMBL19792930 0.82 BCL2 (0.47) ALDH1A1KDM4EMAPTCTSLCTSB
SCHEMBL19792926 0.79 CTSK (0.48) ALDH1A1KDM4EMAPTCTSLCTSB
SCHEMBL19792924 0.79 CTSS (0.48) ALDH1A1KDM4EMAPTCTSLCTSB
SCHEMBL18019186 0.79 LARS1 (0.55) ADAM17MMP1ALDH1A1POLBSLC40A1
SCHEMBL21691174 0.79 KDM4E (0.47) ADAM17MMP1ALDH1A1KDM4EMAPT
SCHEMBL18019118 0.79 CTSK (0.50) CTSLCTSBCTSSCTSKAAK1
SCHEMBL18019117 0.78 BCL2 (0.61) ALDH1A1CTSLCTSBCTSSCTSK
SCHEMBL7449524 0.78 TSHR (0.50) ALDH1A1KDM4EMAPTNTSR1POLB

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 ADAM17 3495/4885MMP1 4500/4885ALDH1A1 2863/4885
US-11072581-B2 N-acyl-arylsulfonamide derivatives as aminoacyl-tRNA synthetase inhibitors AARS1, ASNS, GARS1 ADAM17 3400/4885MMP1 4352/4885ALDH1A1 2857/4885

“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.