SCHEMBL71580

SCHEMBL71580

CS(=O)(=O)Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3cccc4ccccc34)c(O)c12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.73
MAPK1 P28482 2/20 0.73
CYP2C9 P11712 2/20 0.73
DNASE1L3 Q13609 1/20 0.73
HIF1A Q16665 3/20 0.58
ALDH1A1 P00352 2/20 0.58
FUT8 Q9BYC5 1/20 0.54
TSHR P16473 1/20 0.53
PTPRA P18433 1/20 0.53
PTPRB P23467 1/20 0.53
CYP2C19 P33261 1/20 0.53
RAPGEF4 Q8WZA2 1/20 0.53
HSD17B10 Q99714 1/20 0.53
PRMT1 Q99873 2/20 0.51
PHLPP2 Q6ZVD8 2/20 0.49
ENPP2 Q13822 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HTT P42858 1/20 0.48
THRB P10828 2/20 0.46

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
SCHEMBL70833 0.90 CYP1A2 (0.76) CYP1A2MAPK1CYP2C9DNASE1L3HIF1A
SCHEMBL72222 0.88 CYP1A2 (0.62) CYP1A2MAPK1CYP2C9DNASE1L3HIF1A
SCHEMBL71269 0.88 CYP1A2 (0.62) CYP1A2MAPK1CYP2C9DNASE1L3HIF1A
SCHEMBL71336 0.87 FUT8 (0.64) CYP1A2MAPK1CYP2C9DNASE1L3HIF1A
SCHEMBL71332 0.87 FUT8 (0.64) CYP1A2MAPK1CYP2C9DNASE1L3HIF1A
Pontacyl Violet 6R SCHEMBL29412925 0.85 CYP1A2 (1.00) CYP1A2MAPK1CYP2C9DNASE1L3HIF1A
Pontacyl Violet 6R SCHEMBL10080484 0.85 CYP1A2 (1.00) CYP1A2MAPK1CYP2C9DNASE1L3HIF1A
Pontacyl Violet 6R SCHEMBL12282563 0.85 CYP1A2 (1.00) CYP1A2MAPK1CYP2C9DNASE1L3HIF1A
SCHEMBL71410 0.85 FUT8 (0.61) CYP1A2MAPK1CYP2C9DNASE1L3HIF1A
SCHEMBL15355552 0.85 FUT8 (0.61) CYP1A2MAPK1CYP2C9DNASE1L3HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8585784-B2 Shading process BASF SE (DE) 2013-11-19 US disclosed
US-8414661-B2 Detergent compositions THE PROCTER & GAMBLE COMPANY (US) 2013-04-09 US disclosed
US-20120122752-A1 DETERGENT COMPOSITIONS KRAMER HANS (US) 2012-05-17 US disclosed
US-20120122752-A1 DETERGENT COMPOSITIONS KRAMER HANS (US) 2012-05-17 US disclosed
US-8128713-B2 Detergent composition THE PROCTER & GAMBLE COMPANY (US) 2012-03-06 US disclosed
US-8128713-B2 Detergent composition THE PROCTER & GAMBLE COMPANY (US) 2012-03-06 US disclosed
US-20110131738-A1 DETERGENT COMPOSITION KRAMER HANS 2011-06-09 US disclosed
US-20110131738-A1 DETERGENT COMPOSITION KRAMER HANS 2011-06-09 US disclosed
US-7909890-B2 sulfonated metal or silicon phthalocyanine and a mono-azo dyestuff linked via specific linking groups such as suflonamide; use in bleaching and whitening textiles; fabric softeners THE PROCTER & GAMBLE COMPANY (US) 2011-03-22 US disclosed
US-7909890-B2 sulfonated metal or silicon phthalocyanine and a mono-azo dyestuff linked via specific linking groups such as suflonamide; use in bleaching and whitening textiles; fabric softeners THE PROCTER & GAMBLE COMPANY (US) 2011-03-22 US disclosed
US-20100319142-A1 Improved Shading Process BASF SE (US) 2010-12-23 US disclosed
US-20100319142-A1 Improved Shading Process BASF SE (US) 2010-12-23 US disclosed
US-20090172898-A1 sulfonated metal or silicon phthalocyanine and a mono-azo dyestuff linked via specific linking groups such as suflonamide; use in bleaching and whitening textiles; fabric softeners THE PROCTER & GAMBLE COMPANY 2009-07-09 US disclosed
US-20090172898-A1 sulfonated metal or silicon phthalocyanine and a mono-azo dyestuff linked via specific linking groups such as suflonamide; use in bleaching and whitening textiles; fabric softeners THE PROCTER & GAMBLE COMPANY 2009-07-09 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-20100319142-A1 Improved Shading Process CRY1, CUL4B, CRY2 CYP1A2 186/4885MAPK1 4182/4885CYP2C9 567/4885

“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.