SCHEMBL20048735

SCHEMBL20048735

N[S+]([O-])c1ccc2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 2/20 0.44
HSD17B10 Q99714 2/20 0.44
LMNA P02545 1/20 0.42
CYP2A6 P11509 7/20 0.39
CYP1A2 P05177 4/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
CA9 Q16790 2/20 0.39
CA7 P43166 1/20 0.39
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HBB P68871 1/20 0.38
HIF1A Q16665 1/20 0.38
AGXT P21549 2/20 0.38
F2 P00734 1/20 0.38
PLG P00747 1/20 0.38
PLAU P00749 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
SCHEMBL2785643 0.81 CYP2A6 (0.42) ALDH1A1CYP3A4HSD17B10LMNACYP2A6
SCHEMBL28906946 0.77 CYP2A6 (0.44) ALDH1A1CYP3A4HSD17B10LMNACYP2A6
SCHEMBL15109051 0.77 CYP2A6 (0.44) ALDH1A1CYP3A4HSD17B10LMNACYP2A6
SCHEMBL238071 0.77 CYP2A6 (0.39) ALDH1A1CYP3A4HSD17B10LMNACYP2A6
SCHEMBL15352066 0.77 CYP2A6 (0.44) ALDH1A1CYP3A4HSD17B10LMNACYP2A6
SCHEMBL29450253 0.77 CYP2A6 (0.44) ALDH1A1CYP3A4HSD17B10LMNACYP2A6
SCHEMBL30047516 0.77 CYP2A6 (0.44) ALDH1A1CYP3A4HSD17B10LMNACYP2A6
SCHEMBL4123829 0.77 CYP2A6 (0.44) ALDH1A1CYP3A4HSD17B10LMNACYP2A6
SCHEMBL15351713 0.77 CYP2A6 (0.44) ALDH1A1CYP3A4HSD17B10LMNACYP2A6
SCHEMBL1127475 0.75 CYP2A6 (0.46) ALDH1A1CYP3A4HSD17B10CYP2A6CYP1A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11802110-B2 2-amino-N-(arylsulfinyl)-acetamide compounds as inhibitors of bacterial aminoacyl-tRNA synthetase Oxford Drug Design Limited (GB) 2023-10-31 US disclosed
US-11802110-B2 2-amino-N-(arylsulfinyl)-acetamide compounds as inhibitors of bacterial aminoacyl-tRNA synthetase Oxford Drug Design Limited (GB) 2023-10-31 US disclosed
WO-2021123237-A1 2-AMINO-N-(AMINO-OXO-ARYL-LAMBDA6-SULFANYLIDENE)ACETAMIDE COMPOUNDS AND THEIR THERAPEUTIC USE Oxford Drug Design Limited (GB) 2021-06-24 WO disclosed
US-20200039929-A1 2-AMINO-N-(ARYLSULFINYL)-ACETAMIDE COMPOUNDS AS INHIBITORS OF BACTERIAL AMINOACYL-TRNA SYNTHETASE INHIBOX LIMITED (GB) 2020-02-06 US disclosed
WO-2018065611-A1 2-AMINO-N-(ARYLSULFINYL)-ACETAMIDE COMPOUNDS AS INHIBITORS OF BACTERIAL AMINOACYL-TRNA SYNTHETASE Oxford Drug Design Limited (GB) 2018-04-12 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-11802110-B2 2-amino-N-(arylsulfinyl)-acetamide compounds as inhibitors of bacterial aminoacyl-tRNA synthetase AARS1, NSUN3, GARS1 ALDH1A1 1814/4885CYP3A4 4494/4885HSD17B10 1424/4885
US-20200039929-A1 2-AMINO-N-(ARYLSULFINYL)-ACETAMIDE COMPOUNDS AS INHIBITORS OF BACTERIAL AMINOACYL-TRNA SYNTHETASE AARS1, NSUN3, GARS1 ALDH1A1 1814/4885CYP3A4 4494/4885HSD17B10 1424/4885

“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.