SCHEMBL2910123

SCHEMBL2910123

NC(CC(=O)O)(CS(=O)(=O)O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
THRB P10828 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
ARG1 P05089 2/20 0.32
ODC1 P11926 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31
ACLY P53396 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL2910118 1.00 ALDH1A1 (0.36) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL20765128 0.79 ARG1 (0.40) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL20765129 0.79 ARG1 (0.40) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL2908082 0.79 MEN1 (0.57) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL2908085 0.79 MEN1 (0.57) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL509976 0.78 ALDH1A1 (0.48) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL10508105 0.72 ALDH1A1 (0.42) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL3146213 0.72 ARG2 (0.45) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL10508109 0.72 ALDH1A1 (0.42) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL3146220 0.72 ARG2 (0.45) ALDH1A1MEN1CYP1A2THRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11224222-B2 Synergistic compositions of dehydroacetic acid and methods for reducing yellowing in various end-user compositions ISP INVESTMENTS LLC (US) 2022-01-18 US claimed
CN-107613954-B Synergistic compositions of dehydroacetic acid and methods of reducing yellowing in various end-use compositions ISP投资有限公司 2021-10-19 CN claimed
US-20180055048-A1 SYNERGISTIC COMPOSITIONS OF DEHYDROACETIC ACID AND METHODS FOR REDUCING YELLOWING IN VARIOUS END-USER COMPOSITIONS ISP INVESTMENTS LLC (US) 2018-03-01 US claimed
EP-3273937-A1 SYNERGISTIC COMPOSITIONS OF DEHYDROACETIC ACID AND METHODS FOR REDUCING YELLOWING IN VARIOUS END-USER COMPOSITIONS ISP Investments Inc. (US) 2018-01-31 EP claimed
WO-2016154511-A1 SYNERGISTIC COMPOSITIONS OF DEHYDROACETIC ACID AND METHODS FOR REDUCING YELLOWING IN VARIOUS END-USER COMPOSITIONS ISP INVESTMENTS INC. (US) 2016-09-29 WO claimed
US-20150327550-A1 ENVIRONMENT-FRIENDLY, BIODEGRADABLE, VOC-FREE, NON-CORROSIVE AQUEOUS SOLUTION OF 1, 2-BENZISOTHIAZOLIN-3-ONE (BIT) AND PROCESS FOR PREPARING THE SAME ISP INVESTMENTS INC. (US) 2015-11-19 US claimed
WO-2014088806-A1 AN ENVIRONMENT-FRIENDLY, BIODEGRADABLE, VOC-FREE, NON-CORROSIVE AQUEOUS SOLUTION OF 1, 2-BENZISOTHIAZOLIN-3-ONE (BIT) AND PROCESS FOR PREPARING THE SAME ISP INVESTMENTS INC. (US) 2014-06-12 WO claimed
US-20020039980-A1 Chelating agent and detergent comprising the same MITSUBISHI RAYON CO., LTD. 2002-04-04 US claimed
US-20010034318-A1 Chelating agent and detergent comprising the same NITTO CHEMICAL INDUSTRY CO., LTD (NAME CHANGED TO MITSUBISHI RAYON CO., LTD.) 2001-10-25 US claimed
EP-0783034-A2 Chelating agent and detergent comprising the same NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1997-07-09 EP claimed
US-11224222-B2 Synergistic compositions of dehydroacetic acid and methods for reducing yellowing in various end-user compositions ISP INVESTMENTS LLC (US) 2022-01-18 US disclosed
CN-107613954-B Synergistic compositions of dehydroacetic acid and methods of reducing yellowing in various end-use compositions ISP投资有限公司 2021-10-19 CN disclosed
EP-3673056-A1 DETERGENT COMPOSITIONS COMPRISING GH9 ENDOGLUCANASE VARIANTS II Henkel AG & Co. KGaA (DE) 2020-07-01 EP disclosed
WO-2019038059-A1 DETERGENT COMPOSITIONS COMPRISING GH9 ENDOGLUCANASE VARIANTS II HENKEL AG & CO. KGAA (DE) 2019-02-28 WO disclosed
US-20180055048-A1 SYNERGISTIC COMPOSITIONS OF DEHYDROACETIC ACID AND METHODS FOR REDUCING YELLOWING IN VARIOUS END-USER COMPOSITIONS ISP INVESTMENTS LLC (US) 2018-03-01 US disclosed
US-6426229-B1 ASPARTIC, MALEIC, ACRYLIC, MALIC, GLYCINE, GLYCOLIC,IMINODIACETIC, NITRILOTRIACETIC,BETA-ALANINE, IMINODIPROPIONIC, AND FUMARIC ACIDS, SYNTHETIC STARTING AND INTERMEDIATE AMINO ACIDS; BIODEGRADAABLE MITSUBISHI RAYON CO., LTD. (JP) 2002-07-30 US disclosed
US-20020039980-A1 Chelating agent and detergent comprising the same MITSUBISHI RAYON CO., LTD. 2002-04-04 US disclosed
US-20010034318-A1 Chelating agent and detergent comprising the same NITTO CHEMICAL INDUSTRY CO., LTD (NAME CHANGED TO MITSUBISHI RAYON CO., LTD.) 2001-10-25 US disclosed
US-6221834-B1 (S)-ASPARTIC ACID-N,N-DIACETIC ACID (ASDA) OR ALKALI METAL SALTS OR AMMONIA SALTS THEREOF AND (II) ASPARTIC ACID, MALIC ACID, IMINODIACETIC ACID (IDA), NITRILOTRIACETIC ACID (NTA) OR FUMARIC ACID MITSUBISHI RAYON CO., LTD. (JP) 2001-04-24 US disclosed
EP-0783034-A2 Chelating agent and detergent comprising the same NITTO CHEMICAL INDUSTRY CO., LTD. (JP) 1997-07-09 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 (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-20180055048-A1 SYNERGISTIC COMPOSITIONS OF DEHYDROACETIC ACID AND METHODS FOR REDUCING YELLOWING IN VARIOUS END-USER COMPOSITIONS ALAD, SCD, DHCR7 ALDH1A1 92/4885MEN1 3671/4885CYP1A2 264/4885
US-11224222-B2 Synergistic compositions of dehydroacetic acid and methods for reducing yellowing in various end-user compositions ALAD, SCD, DHCR7 ALDH1A1 92/4885MEN1 3671/4885CYP1A2 264/4885

“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.