Pyrabactin A

Pyrabactin A

SCHEMBL2476266

NS(=O)(=O)c1cccc2ccccc12.O=S(=O)(NCc1ccccn1)c1ccc(Br)c2ccccc12

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HPGD P15428 2/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
HTT P42858 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
PRMT1 Q99873 1/20 0.46
POLB P06746 1/20 0.45
USP2 O75604 1/20 0.44

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
Pyrabactin A SCHEMBL29395044 0.89 L3MBTL1 (0.57) ALDH1A1KDM4EHPGDCASP1CASP7
Pyrabactin A SCHEMBL30157573 0.89 L3MBTL1 (0.57) ALDH1A1KDM4EHPGDCASP1CASP7
Pyrabactin A SCHEMBL9932519 0.89 L3MBTL1 (0.57) ALDH1A1KDM4EHPGDCASP1CASP7
SCHEMBL169187 0.86 L3MBTL1 (0.60) ALDH1A1KDM4EHPGDCASP1CASP7
SCHEMBL27807434 0.79 L3MBTL1 (0.55) ALDH1A1KDM4EHPGDCASP1CASP7
SCHEMBL4489640 0.78 L3MBTL1 (0.56) ALDH1A1KDM4EHPGDCASP1CASP7
SCHEMBL4443025 0.78 NSD2 (0.65) ALDH1A1KDM4EHPGDCASP1CASP7
Hydrochloric Acid SCHEMBL4446948 0.77 NSD2 (0.66) ALDH1A1KDM4EHPGDCASP1CASP7
SCHEMBL18397971 0.77 L3MBTL1 (0.55) ALDH1A1MEN1KMT2AL3MBTL1GAA
SCHEMBL1831060 0.72 SLC1A3 (0.47) ALDH1A1KDM4EHPGDCASP1CASP7

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230350-A1 ARYL-AND HETARYLSULFONAMIDES AS ACTIVE INGREDIENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2011-09-22 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 (1 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-20110230350-A1 ARYL-AND HETARYLSULFONAMIDES AS ACTIVE INGREDIENTS AGAINST ABIOTIC PLANT STRESS STS, ARSA, TST ALDH1A1 1980/4885KDM4E 2481/4885HPGD 597/4885

“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.