SCHEMBL20048776

SCHEMBL20048776

N[S+]([O-])c1cccc(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
MAPK1 P28482 1/20 0.39
C1S P09871 1/20 0.38
PARP1 P09874 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
IDO1 P14902 4/20 0.36
AGXT P21549 2/20 0.36
KDM1A O60341 2/20 0.35
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA5A P35218 1/20 0.32
CA9 Q16790 1/20 0.32
TDO2 P48775 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 1/20 0.32
HK1 P19367 1/20 0.32
RAB9A P51151 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
MAOA P21397 1/20 0.32

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
SCHEMBL3667921 0.81 ALDH1A1 (0.42) ALDH1A1MAPK1C1SPARP1TAAR1
SCHEMBL513922 0.77 ALDH1A1 (0.44) ALDH1A1MAPK1C1SPARP1TAAR1
SCHEMBL13591681 0.74 CYP3A4 (0.50) ALDH1A1MAPK1CA1CA2CA9
SCHEMBL23943395 0.74 ALDH1A1 (0.41) ALDH1A1MAPK1C1SPARP1TAAR1
SCHEMBL20048803 0.73 ALDH1A1 (0.44) ALDH1A1PARP1TAAR1IDO1AGXT
SCHEMBL20048774 0.73 ACHE (0.39) MAPK1PARP1TAAR1IDO1AGXT
SCHEMBL14140426 0.73 IDO1 (0.36) IDO1RAB9AMGLL
SCHEMBL15085130 0.73 ACHE (0.48) ALDH1A1MAPK1PARP1TAAR1IDO1
SCHEMBL8274402 0.73 ALDH1A1 (0.44) ALDH1A1PARP1TAAR1IDO1AGXT
SCHEMBL19255037 0.72 ALDH1A1 (0.40) ALDH1A1MAPK1C1SPARP1TAAR1

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 1814/4885MAPK1 4197/4885C1S 3760/4885
US-20200039929-A1 2-AMINO-N-(ARYLSULFINYL)-ACETAMIDE COMPOUNDS AS INHIBITORS OF BACTERIAL AMINOACYL-TRNA SYNTHETASE AARS1, NSUN3, GARS1 ALDH1A1 1814/4885MAPK1 4197/4885C1S 3760/4885

“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.