SCHEMBL21691165

SCHEMBL21691165

CNc1cccc([S+](N)[O-])c1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
APP P05067 1/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
BRD4 O60885 1/20 0.31
NOS1 P29475 1/20 0.31

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
SCHEMBL26274192 0.83 TSHR (0.42) TSHRAPPBRD4
SCHEMBL6847221 0.82 TSHR (0.41) TSHRAPPBRD4
SCHEMBL6848815 0.82 TSHR (0.41) TSHRAPPBRD4
SCHEMBL20048797 0.80 TSHR (0.39) TSHRAPPBRD4
Hydrochloric Acid SCHEMBL6841993 0.80 TSHR (0.39) TSHRAPPBRD4
SCHEMBL23240078 0.80
Hydrochloric Acid SCHEMBL6846381 0.80 TSHR (0.39) TSHRAPPBRD4
SCHEMBL20048796 0.80 TSHR (0.39) TSHRAPPBRD4NOS1
SCHEMBL25697637 0.74 CA12 (0.45) TSHRAPPCA12CA1CA2
SCHEMBL15085130 0.72 ACHE (0.48) TSHR

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-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
CN-110049970-B 2-amino-N- (arylsulfinyl) -acetamide compounds as inhibitors of bacterial aminoacyl-TRNA synthase 牛津药物设计有限公司 2023-04-11 CN 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
CN-110049970-A 2- amino-N- (aryl sulfonyl kia)-acetamide compound of inhibitor as bacterium aminoacyl-TRNA synzyme 牛津药物设计有限公司 2019-07-23 CN 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 TSHR 1674/4885APP 4192/4885CA12 4798/4885
US-20200039929-A1 2-AMINO-N-(ARYLSULFINYL)-ACETAMIDE COMPOUNDS AS INHIBITORS OF BACTERIAL AMINOACYL-TRNA SYNTHETASE AARS1, NSUN3, GARS1 TSHR 1674/4885APP 4192/4885CA12 4798/4885

“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.