SCHEMBL20048770

SCHEMBL20048770

N[S+]([O-])c1cccc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
MAPK1 P28482 1/20 0.50
TAAR1 Q96RJ0 1/20 0.43
IDO1 P14902 4/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
CES2 O00748 1/20 0.41
MGLL Q99685 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
KDM1A O60341 2/20 0.40
PNMT P11086 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TDO2 P48775 1/20 0.38
FBP1 P09467 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
SCHEMBL4661338 0.81 TSHR (0.54) TSHRMAPK1TAAR1IDO1HTR3E
SCHEMBL13040490 0.80 TSHR (0.45) TSHRMAPK1TAAR1IDO1HTR3E
SCHEMBL23569400 0.80 HDAC8 (0.40) ALDH1A1
SCHEMBL17795574 0.80 HDAC8 (0.40) ALDH1A1
SCHEMBL16139507 0.77 TSHR (0.42) TSHRMAPK1TAAR1IDO1HTR3E
SCHEMBL22282296 0.77 ESR1 (0.32)
SCHEMBL6384184 0.75 TSHR (0.54) TSHRMAPK1TAAR1IDO1HTR3E
SCHEMBL4592667 0.75 TSHR (0.54) TSHRMAPK1TAAR1IDO1HTR3E
SCHEMBL16622586 0.74 KIF11 (0.43) TSHRTAAR1IDO1HTR3EHTR3B
SCHEMBL20048774 0.72 ACHE (0.39) MAPK1TAAR1IDO1CES2KDM1A

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 TSHR 1674/4885MAPK1 4197/4885TAAR1 1558/4885
US-20200039929-A1 2-AMINO-N-(ARYLSULFINYL)-ACETAMIDE COMPOUNDS AS INHIBITORS OF BACTERIAL AMINOACYL-TRNA SYNTHETASE AARS1, NSUN3, GARS1 TSHR 1674/4885MAPK1 4197/4885TAAR1 1558/4885

“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.