SCHEMBL20048699

SCHEMBL20048699

N[S+]([O-])c1cccc(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.35
CES1 P23141 2/20 0.35
BCHE P06276 1/20 0.35
HPGD P15428 1/20 0.32
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
REV1 Q9UBZ9 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
SCHEMBL2460604 0.81 ACHE (0.40) CES2CES1
SCHEMBL777916 0.81 CES2 (0.38) CES2CES1BCHEHPGDHTR2C
SCHEMBL23569368 0.78 NR4A2 (0.34)
SCHEMBL23531754 0.78 NR4A2 (0.34)
SCHEMBL777108 0.77 CES2 (0.35) CES2CES1BCHEHPGD
SCHEMBL23912724 0.77 CES2 (0.35) CES2CES1BCHEHPGD
SCHEMBL6874177 0.77 CES2 (0.35) CES2CES1BCHEHPGD
SCHEMBL23568538 0.73 CES2 (0.33) CES2CES1BCHE
SCHEMBL778509 0.72 CES2 (0.32) CES2CES1BCHE
SCHEMBL14647402 0.72 BACE1 (0.33) CES2CES1BCHE

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 CES2 1372/4885CES1 1245/4885BCHE 2921/4885
US-20200039929-A1 2-AMINO-N-(ARYLSULFINYL)-ACETAMIDE COMPOUNDS AS INHIBITORS OF BACTERIAL AMINOACYL-TRNA SYNTHETASE AARS1, NSUN3, GARS1 CES2 1372/4885CES1 1245/4885BCHE 2921/4885

“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.