SCHEMBL3955979

SCHEMBL3955979

O=C1c2c(O)cccc2S(=O)(=O)N1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.43
ELANE P08246 12/20 0.39
THRB P10828 1/20 0.37
CA12 O43570 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAOA P21397 1/20 0.35
CA1 P00915 1/20 0.35
LMNA P02545 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
SCHEMBL3947691 0.83 HTT (0.44) HPGDKDM4EMEN1ALDH1A1GAA
SCHEMBL3952641 0.77 ELANE (0.52) HPGDELANEALDH1A1GAAMAPT
SCHEMBL6903338 0.74 HPGD (0.58) HPGDELANECA12CA2CA9
SCHEMBL30367636 0.74 HPGD (0.58) HPGDELANECA12CA2CA9
SCHEMBL7387523 0.73 ELANE (0.48) ELANECA12CA2CA9ALDH1A1
Hydrogen Sulfide SCHEMBL29165723 0.73 HPGD (0.57) HPGDELANECA12CA2CA9
SCHEMBL7306492 0.71 ELANE (0.57) ELANECA12CA2CA9KDM4E
SCHEMBL4139429 0.71 CA9 (0.36) HPGDELANETHRBCA12CA2
SCHEMBL3947295 0.66 HTT (0.45) HPGDELANEMEN1GAAMAPT
SCHEMBL24206029 0.65 LMNA (0.44) HPGDELANECA12CA2CA9

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 11 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
EP-1655290-B1 Compositions comprising a benzoisothiazolone derivative and their use in the cosmetic field OREAL (FR) 2009-04-29 EP 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-7232839-B2 Benzoisothiazolone compositions L'OREAL (FR) 2007-06-19 US 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 HPGD 536/4885ELANE 106/4885THRB 4037/4885

“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.