SCHEMBL389605

SCHEMBL389605

COc1cc(S(=O)(=O)O)c(C)cc1NC(=O)CC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL29466718 1.00 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AL3MBTL1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL10606731 0.99 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AL3MBTL1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL10606720 0.99 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL7075714 0.89 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL7804751 0.89 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL11272710 0.87 KDM4E (0.49) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL11331312 0.86 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL7778665 0.86 ALDH1A1 (0.48) ALDH1A1MEN1KMT2A
SCHEMBL7890991 0.84 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL5374093 0.84 KMT2A (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT

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 110 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7341607-B2 Based on diaminobenzanilides or, more specifically (aminobenzoylamino),(sulfo-),(methoxy)anilines; stable aqueous solutions;nonbleeding/colorfastness; excellent degrees of exhaustion with high colour strength; dyeing natural or synthetic materials, particularly, paper; neutral or greenish-yellow hues CIBA SPECIALTY CHEMICALS CORP. (US) 2008-03-11 US claimed
US-20060142588-A1 Acetoacetylation of alcohols, thiols and amines in a microreactor CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2006-06-29 US claimed
EP-1590315-A1 ACETOACETYLATION OF ALCOHOLS, THIOLS AND AMINES IN A MICROREACTOR Clariant GmbH (DE) 2005-11-02 EP claimed
WO-2004067492-A1 ACETOACETYLATION OF ALCOHOLS, THIOLS AND AMINES IN A MICROREACTOR CLARIANT GMBH (DE) 2004-08-12 WO claimed
US-20020055619-A1 Process for preparing azo colorants CLARIANT GMBH 2002-05-09 US claimed
EP-1195411-A1 Process for the preparation of azo colourants Clariant GmbH (DE) 2002-04-10 EP claimed
JP-1319570-A None JP disclosed
US-11555091-B2 Composition with reduced aldehyde emission HUNTSMAN INTERNATIONAL LLC (US) 2023-01-17 US disclosed
CN-111801365-B Compositions with reduced aldehyde emissions 亨茨曼国际有限公司 2022-03-29 CN disclosed
US-20210221942-A1 A COMPOSITION WITH REDUCED ALDEHYDE EMISSION HUNTSMAN INTERNATIONAL LLC 2021-07-22 US disclosed
EP-3728373-A1 A COMPOSITION WITH REDUCED ALDEHYDE EMISSION Huntsman International LLC (US) 2020-10-28 EP disclosed
CN-111801365-A Compositions with reduced aldehyde emissions 亨茨曼国际有限公司 2020-10-20 CN disclosed
US-10392514-B2 Storage-stable dye solutions ARCHROMA IP GMBH (CH) 2019-08-27 US disclosed
EP-0031508-A2 Water-soluble azo compounds and their copper complexes, process for their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1981-07-08 EP disclosed
US-4254026-A FOR DYEING OR PRINTING NATURAL AND SYNTHETIC MATERIAL CASSELLA AKTIENGESELLSCHAFT (DE) 1981-03-03 US disclosed
EP-0012969-A2 Water-soluble fibre-reactive compounds and their use in fibre finishing,especially as dyestuffs,and dihalogeno-pyridazonyl-carboxylic and sulfonic acid halides and their use as fibre-reactive anchors,as well as process for the preparation of these compound HOECHST AKTIENGESELLSCHAFT (DE) 1980-07-09 EP disclosed
EP-0005449-A1 Water-soluble monoazo-dyestuffs, their preparation, concentrated aqueous solutions containing the monoazo-dyestuffs, the preparation of the solutions, the use of the dyestuffs and of the concentrated solutions and the materials dyed and printed therewith CASSELLA Aktiengesellschaft (DE) 1979-11-28 EP disclosed
US-4118184-A Stable liquid aqueous composition of a water-soluble fiber-reactive azo dyestuff, containing a buffer substance, the dyestuff having been prepared by diazotization with a nitrite and coupling in the absence of acid HOECHST AKTIENGESELLSCHAFT (DE) 1978-10-03 US disclosed
US-4045428-A Water-soluble reactive naphthylazonaphthyl dyestuffs HOECHST AKTIENGESELLSCHAFT (DT) 1977-08-30 US disclosed
US-4035350-A Process for the preparation of water-soluble azo dyestuffs by reacting an aromatic amine and a coupling component with alkali metal nitrite or alkyl nitrite in the absence of acid HOECHST AKTIENGESELLSCHAFT (DT) 1977-07-12 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 (2 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-10392514-B2 Storage-stable dye solutions IK, G6PD, TYR ALDH1A1 59/4885MEN1 2734/4885KMT2A 1804/4885
US-20060142588-A1 Acetoacetylation of alcohols, thiols and amines in a microreactor ADH1A, GRHPR, AKR1C2 ALDH1A1 48/4885MEN1 4408/4885KMT2A 851/4885

“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.