SCHEMBL20048734

SCHEMBL20048734

N[S+]([O-])c1cc(Cl)cc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
IDO1 P14902 2/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR3A P46098 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL11368863 0.77 TSHR (0.50) TSHRTP53CYP3A4ALDH1A1
SCHEMBL8274402 0.75 ALDH1A1 (0.44) TSHRCYP3A4IDO1HTR3EHTR3B
SCHEMBL20048803 0.75 ALDH1A1 (0.44) TSHRCYP3A4IDO1HTR3EHTR3B
SCHEMBL23569839 0.72 LMNA (0.44) TSHRTP53CYP3A4IDO1HTR3E
SCHEMBL17071828 0.72 TSHR (0.44) TSHRTP53CYP3A4ALDH1A1
SCHEMBL23568703 0.72 LMNA (0.44) TSHRTP53CYP3A4IDO1HTR3E
SCHEMBL10332785 0.72 LMNA (0.44) TSHRTP53CYP3A4IDO1HTR3E
SCHEMBL24783773 0.71
1,3,5-Trichlorobenzene SCHEMBL28192425 0.71 TSHR (0.89) TSHRTP53CYP3A4IDO1HTR3E
SCHEMBL6139490 0.70 ALDH1A1 (0.41) TSHRTP53CYP3A4ALDH1A1

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
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-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 TSHR 1674/4885TP53 3667/4885CYP3A4 4494/4885
US-20200039929-A1 2-AMINO-N-(ARYLSULFINYL)-ACETAMIDE COMPOUNDS AS INHIBITORS OF BACTERIAL AMINOACYL-TRNA SYNTHETASE AARS1, NSUN3, GARS1 TSHR 1674/4885TP53 3667/4885CYP3A4 4494/4885

“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.