SCHEMBL21691192

SCHEMBL21691192

O=S(O)c1cccc(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.42
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 1/20 0.39
HSD17B3 P37058 1/20 0.38
C1S P09871 1/20 0.38
TP53 P04637 1/20 0.37
IDO1 P14902 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MGLL Q99685 1/20 0.35
HPGD P15428 1/20 0.35
GAA P10253 1/20 0.35
CA1 P00915 1/20 0.35
MMP2 P08253 1/20 0.35
CA14 Q9ULX7 1/20 0.35
TGM2 P21980 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL7515944 0.98 PARP1 (0.41) PARP1ALDH1A1MAPK1HSD17B3C1S
SCHEMBL11615314 0.84 L3MBTL1 (0.44) PARP1ALDH1A1HSD17B3L3MBTL1
SCHEMBL10775693 0.83 HPGD (0.32) ALDH1A1HPGDCA14
SCHEMBL7515941 0.76 ALDH1A1 (0.39) PARP1ALDH1A1MAPK1HSD17B3C1S
SCHEMBL24863821 0.74 ALDH1A1 (0.50) PARP1ALDH1A1CA1CA14
SCHEMBL31615436 0.74 ALDH1A1 (0.50) PARP1ALDH1A1CA1CA14
SCHEMBL7621372 0.74 CYP3A4 (0.50) ALDH1A1CA1CA14
SCHEMBL7961201 0.74 CYP2A6 (0.46) ALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL10344176 0.73 CYP1A2 (0.45) PARP1ALDH1A1TP53NPC1RAB9A
SCHEMBL8100115 0.73 CES2 (0.45) PARP1IDO1MGLLMMP2CA14

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 2 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

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 PARP1 2614/4885ALDH1A1 1814/4885MAPK1 4197/4885
US-20200039929-A1 2-AMINO-N-(ARYLSULFINYL)-ACETAMIDE COMPOUNDS AS INHIBITORS OF BACTERIAL AMINOACYL-TRNA SYNTHETASE AARS1, NSUN3, GARS1 PARP1 2614/4885ALDH1A1 1814/4885MAPK1 4197/4885

“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.