SCHEMBL20048749

SCHEMBL20048749

COS(=O)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CHRM5 P08912 1/20 0.36
CES1 P23141 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
DAO P14920 1/20 0.36
XDH P47989 1/20 0.36
GALR1 P47211 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
SYK P43405 1/20 0.35

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
SCHEMBL10344177 0.79 CYP11B1 (0.43) CHRM2CHRM1CHRM3CYP11B1CYP11B2
SCHEMBL1584428 0.78 CHRM2 (0.40) CHRM2CHRM1CHRM3CYP11B1CYP11B2
SCHEMBL1584430 0.78 CYP11B1 (0.42) CHRM2CHRM1CHRM3CYP11B1CYP11B2
SCHEMBL3147185 0.73 GPR3 (0.50) CHRM2CHRM1CHRM3SLC22A12PIM1
SCHEMBL1526052 0.72 NPC1 (0.53) NPC1RAB9ACHRM5CES1ALDH1A1
SCHEMBL20048857 0.71 TSHR (0.41) RAB9ACES1ALDH1A1MAPTHPGD
SCHEMBL30306598 0.71 TSHR (0.41) RAB9ACES1ALDH1A1MAPTHPGD
SCHEMBL950283 0.71 TSHR (0.41) RAB9ACES1ALDH1A1MAPTHPGD
SCHEMBL21691195 0.71 TSHR (0.41) RAB9ACES1ALDH1A1MAPTHPGD
SCHEMBL19139964 0.71 ACHE (0.44) ALDH1A1TSHR

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 3 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-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 CHRM2 4884/4885CHRM1 4883/4885CHRM3 4873/4885
US-20200039929-A1 2-AMINO-N-(ARYLSULFINYL)-ACETAMIDE COMPOUNDS AS INHIBITORS OF BACTERIAL AMINOACYL-TRNA SYNTHETASE AARS1, NSUN3, GARS1 CHRM2 4884/4885CHRM1 4883/4885CHRM3 4873/4885

“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.