SCHEMBL15009477

SCHEMBL15009477

O=[N+]([O-])c1ccccc1N[SH](=O)=O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 4/20 0.56
▸ L3MBTL1 Q9Y468 3/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ CASP7 P55210 1/20 0.56
▸ MEN1 O00255 5/20 0.53
▸ KMT2A Q03164 5/20 0.53
▸ MAPT P10636 7/20 0.50
▸ GAA P10253 4/20 0.50
▸ PKM P14618 1/20 0.50
▸ KAT2B Q92831 2/20 0.49
▸ RAB9A P51151 4/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ KCNMA1 Q12791 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ PHGDH O43175 1/20 0.45

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
Ammonia Solution, Strong SCHEMBL7853512 0.98 MAPK1 (0.55) MAPK1L3MBTL1ALDH1A1TDP1CASP7
SCHEMBL29280208 0.81 ALDH1A1 (0.53) MAPK1L3MBTL1ALDH1A1TDP1CASP7
SCHEMBL397773 0.79 MAPK1 (0.77) MAPK1L3MBTL1ALDH1A1TDP1CASP7
SCHEMBL9062960 0.78 MEN1 (0.59) MAPK1L3MBTL1ALDH1A1TDP1CASP7
SCHEMBL12205174 0.75 MAPK1 (0.60) MAPK1L3MBTL1ALDH1A1TDP1CASP7
SCHEMBL856759 0.75 MAPK1 (0.60) MAPK1L3MBTL1ALDH1A1TDP1CASP7
SCHEMBL950729 0.75 MAPK1 (0.60) MAPK1L3MBTL1ALDH1A1TDP1CASP7
SCHEMBL297021 0.75 MAPK1 (0.60) MAPK1L3MBTL1ALDH1A1TDP1CASP7
SCHEMBL728448 0.75 MEN1 (0.61) MAPK1L3MBTL1ALDH1A1TDP1CASP7
SCHEMBL373368 0.75 MAPK1 (0.60) MAPK1L3MBTL1ALDH1A1TDP1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2791121-B1 BENZISOTHIAZOL-3(1H)-ONE-5-SULFONYL DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2016-08-03 — — EP disclosed
EP-2791121-A1 BENZISOTHIAZOL-3(1H)-ONE-5-SULFONYL DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2014-10-22 — — EP disclosed
US-8524745-B2 Benzisothiazol-3(1H)-one-5-sulfonyl derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2013-09-03 — — US disclosed
WO-2013090227-A1 BENZISOTHIAZOL-3(1H)-ONE-5-SULFONYL DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-06-20 — — WO disclosed
US-20130150413-A1 BENZISOTHIAZOL-3(1H)-ONE-5-SULFONYL DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-06-13 — — US disclosed
CN-1084515-A Phenyl sulfamoyl endothelium (endothelin) antagonistic SQUIBB & SONS INC (US) 1994-03-30 — — CN 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-20130150413-A1 BENZISOTHIAZOL-3(1H)-ONE-5-SULFONYL DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CCR5, CCR2, CX3CR1 MAPK1 1270/4885L3MBTL1 4826/4885ALDH1A1 1360/4885

“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.

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