SCHEMBL3581670

SCHEMBL3581670

CC(=O)CC(=O)Nc1ccccc1S(=O)(=O)O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.55
CA2 P00918 10/20 0.55
ALDH1A1 P00352 2/20 0.50
MAPT P10636 1/20 0.46
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 2/20 0.44
CA4 P22748 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
HIF1A Q16665 1/20 0.44
CA7 P43166 1/20 0.44
MAPK1 P28482 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL9781016 0.87 CA1 (0.55) CA1CA2ALDH1A1MAPTHTT
SCHEMBL8760294 0.85 CA1 (0.77) CA1CA2CA4CA7
SCHEMBL9799462 0.85 CA1 (0.76) CA1CA2CA4
SCHEMBL10067565 0.85 CA1 (0.53) CA1CA2ALDH1A1MAPTHTT
SCHEMBL11441738 0.84 ALDH1A1 (0.47) CA1CA2ALDH1A1MAPTCA4
Ammonia Solution, Strong SCHEMBL29466725 0.83 ALDH1A1 (0.46) CA1CA2ALDH1A1MAPTCA4
Ammonia Solution, Strong SCHEMBL22574486 0.83 ALDH1A1 (0.46) CA1CA2ALDH1A1MAPTCA4
SCHEMBL22574488 0.83 ALDH1A1 (0.46) CA1CA2ALDH1A1MAPTCA4
SCHEMBL28232248 0.83 CA1 (0.54) CA1CA2HTTSMN1; SMN2CA4
SCHEMBL30673688 0.82 ALDH1A1 (0.55) CA1CA2ALDH1A1HTTSMN1; SMN2

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-4400317-A NO NEED TO PRECIPITATE PRODUCT FROM REACTION SOLUTION AMERICAN HOECHST CORPORATION (US) 1983-08-23 US claimed
CN-105143353-B Disazo pigment composition and method for producing same 东洋油墨SC控股株式会社 2017-03-15 CN disclosed
JP-2010256378-A MONOAZO PIGMENT, PRODUCTION METHOD THEREOF, AND COLOR COMPOSITION FOR IMAGE RECORDING TOYO INK MFG CO LTD 2010-11-11 JP disclosed
US-20060142588-A1 Acetoacetylation of alcohols, thiols and amines in a microreactor CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2006-06-29 US disclosed
EP-1590315-A1 ACETOACETYLATION OF ALCOHOLS, THIOLS AND AMINES IN A MICROREACTOR Clariant GmbH (DE) 2005-11-02 EP disclosed
WO-2004067492-A1 ACETOACETYLATION OF ALCOHOLS, THIOLS AND AMINES IN A MICROREACTOR CLARIANT GMBH (DE) 2004-08-12 WO disclosed
EP-0952191-B1 Disazo pigment composition, printing ink containing the same and a method for manufacturing the same DAINIPPON INK & CHEMICALS (JP) 2002-07-10 EP disclosed
EP-0823459-B1 Disazo pigment composition and printing ink DAINIPPON INK & CHEMICALS (JP) 2002-04-17 EP disclosed
EP-0952191-A2 Disazo pigment composition, printing ink containing the same and a method for manufacturing the same DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-10-27 EP disclosed
US-5803962-A Disazo pigment composition and printing ink DAINIPPON INK AND CHEMICALS, INC. (JP) 1998-09-08 US disclosed
EP-0823459-A2 Disazo pigment composition and printing ink DAINIPPON INK AND CHEMICALS, INC. (JP) 1998-02-11 EP disclosed
US-4663441-A Asymmetric 1:2 chrome complex dye of a phenylazosulphonaphtholamine and a naphtholazosulphonaphthol BASF AKTIENGESELLSCHAFT (DE) 1987-05-05 US disclosed
US-4474609-A Recrystallization-resistant monoazo pigment mixtures of high tinctorial strength, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1984-10-02 US disclosed
US-4400317-A NO NEED TO PRECIPITATE PRODUCT FROM REACTION SOLUTION AMERICAN HOECHST CORPORATION (US) 1983-08-23 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-20060142588-A1 Acetoacetylation of alcohols, thiols and amines in a microreactor ADH1A, GRHPR, AKR1C2 CA1 2439/4885CA2 3014/4885ALDH1A1 48/4885

“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.