SCHEMBL3944509

SCHEMBL3944509

O=c1c2c(O)cccc2sn1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPI P34949 12/20 0.57
PMM2 O15305 10/20 0.57
PHOSPHO1 Q8TCT1 9/20 0.57
G6PD P11413 8/20 0.57
APOBEC3G Q9HC16 5/20 0.57
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 2/20 0.57
MAPT P10636 2/20 0.57
PKM P14618 2/20 0.57
HPGD P15428 2/20 0.57
ALOX12 P18054 2/20 0.57
CASP3 P42574 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
HSP90AA1 P07900 1/20 0.57
IDE P14735 1/20 0.48
TLR9 Q9NR96 2/20 0.45
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 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
SCHEMBL3948605 0.83 G6PD (0.61) MPIPMM2PHOSPHO1G6PDAPOBEC3G
SCHEMBL8369484 0.80 MPI (0.57) MPIPMM2PHOSPHO1G6PDAPOBEC3G
SCHEMBL8373396 0.80 MPI (0.57) MPIPMM2PHOSPHO1G6PDAPOBEC3G
SCHEMBL8371816 0.80 MPI (0.57) MPIPMM2PHOSPHO1G6PDAPOBEC3G
SCHEMBL8369537 0.80 MPI (0.57) MPIPMM2PHOSPHO1G6PDAPOBEC3G
SCHEMBL8370777 0.78 PHOSPHO1 (0.55) MPIPMM2PHOSPHO1G6PDAPOBEC3G
SCHEMBL3955200 0.76 MPI (0.56) MPIPMM2PHOSPHO1G6PDAPOBEC3G
SCHEMBL30562926 0.73 MPI (1.00) MPIPMM2PHOSPHO1G6PDAPOBEC3G
SCHEMBL1898397 0.73 MPI (1.00) MPIPMM2PHOSPHO1G6PDAPOBEC3G
SCHEMBL30738364 0.72 MPI (0.96) MPIPMM2PHOSPHO1G6PDAPOBEC3G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1655290-B1 Compositions comprising a benzoisothiazolone derivative and their use in the cosmetic field OREAL (FR) 2009-04-29 EP claimed
US-7232839-B2 Benzoisothiazolone compositions L'OREAL (FR) 2007-06-19 US claimed
US-20060142587-A1 Benzoisothiazolone compositions L'OREAL (FR) 2006-06-29 US claimed
EP-1655290-A1 Compositions comprising a benzoisothiazolone derivative and their use in the cosmetic field L'OREAL (FR) 2006-05-10 EP claimed
WO-2024008788-A1 USE OF EBSELEN OR ONE OF THE DERIVATIVES THEREOF TO TREAT MITOCHONDRIAL PATHOLOGIES OR DYSFUNCTIONS ASSOCIATION FRANCAISE CONTRE LES MYOPATHIES (FR) 2024-01-11 WO disclosed
EP-1655290-B1 Compositions comprising a benzoisothiazolone derivative and their use in the cosmetic field OREAL (FR) 2009-04-29 EP disclosed
US-7232839-B2 Benzoisothiazolone compositions L'OREAL (FR) 2007-06-19 US disclosed
US-20060142587-A1 Benzoisothiazolone compositions L'OREAL (FR) 2006-06-29 US disclosed
EP-1655290-A1 Compositions comprising a benzoisothiazolone derivative and their use in the cosmetic field L'OREAL (FR) 2006-05-10 EP 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-20060142587-A1 Benzoisothiazolone compositions COL1A1, TYR, CUTA MPI 3471/4885PMM2 4486/4885PHOSPHO1 2553/4885

“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.