SCHEMBL29459757

SCHEMBL29459757

O=C1C(c2[nH]c3ccc(S(=O)(=O)O)cc3c2O)=Nc2ccc(S(=O)(=O)O)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 1.00
TDP1 Q9NUW8 3/20 1.00
MAPT P10636 3/20 1.00
HPGD P15428 2/20 1.00
F2 P00734 1/20 1.00
ADORA3 P0DMS8 1/20 1.00
THRB P10828 1/20 1.00
PTGS1 P23219 1/20 1.00
KDR P35968 1/20 1.00
BLM P54132 1/20 1.00
WRN Q14191 1/20 1.00
GSK3B P49841 10/20 0.63
GSK3A P49840 9/20 0.63
CDK5 Q00535 8/20 0.63
CDK5R1 Q15078 8/20 0.63
CDK1 P06493 7/20 0.63
CCNB2 O95067 4/20 0.63
CCNB1 P14635 4/20 0.63
CCNB3 Q8WWL7 4/20 0.63
CDK2 P24941 4/20 0.61

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
SCHEMBL29364195 0.99 ALDH1A1 (0.97) ALDH1A1TDP1MAPTHPGDF2
SCHEMBL29354209 0.99 ALDH1A1 (0.97) ALDH1A1TDP1MAPTHPGDF2
SCHEMBL29354321 0.90 ALDH1A1 (0.82) ALDH1A1TDP1MAPTHPGDF2
SCHEMBL29726789 0.90 ALDH1A1 (0.82) ALDH1A1TDP1MAPTHPGDF2
SCHEMBL30887394 0.90 ALDH1A1 (0.82) ALDH1A1TDP1MAPTHPGDF2
Potassium Ion SCHEMBL29366498 0.90 ALDH1A1 (0.82) ALDH1A1TDP1MAPTHPGDF2
SCHEMBL30897991 0.81 FLT3 (0.74) ALDH1A1TDP1MAPTHPGDF2
SCHEMBL29440652 0.81 GSK3B (0.71) ALDH1A1TDP1MAPTHPGDF2
SCHEMBL14599148 0.80 ALDH1A1 (0.65) ALDH1A1TDP1MAPTHPGDF2
SCHEMBL28863757 0.77 ALDH1A1 (0.61) ALDH1A1TDP1MAPTHPGDF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250084541-A1 CARBON DIOXIDE RECOVERY SYSTEM OSAKA UNIVERSITY (JP) 2025-03-13 US disclosed
EP-4375398-A1 CARBON DIOXIDE RECOVERY SYSTEM Chiyoda Corporation (JP) 2024-05-29 EP disclosed
CN-117860769-A Mouthwash for preventing and treating periodontitis and preparation method thereof 兰州大学 2024-04-12 CN disclosed
US-11883413-B2 Inhibition of thymine DNA glycosylase in the treatment of cancer INSTITUT CURIE (FR) 2024-01-30 US disclosed
WO-2023127934-A1 ENERGY-RAY-CURABLE COMPOSITION FOR THREE-DIMENSIONAL SHAPING USE, DENTAL STRUCTURE, MOUTHPIECE, TEETH-STRAIGHTENING MOUTHPIECE, AND METHOD FOR PRODUCING DENTAL STRUCTURE クラレノリタケデンタル株式会社 2023-07-06 WO disclosed
WO-2023003029-A1 CARBON DIOXIDE RECOVERY SYSTEM 千代田化工建設株式会社 2023-01-26 WO disclosed
US-20220054500-A1 Inhibition of Thymine DNA Glycosylase in the Treatment of Cancer INSTITUT CURIE (FR) 2022-02-24 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-20220054500-A1 Inhibition of Thymine DNA Glycosylase in the Treatment of Cancer UNG, MPG, TYMP ALDH1A1 1403/4885TDP1 18/4885MAPT 1950/4885
US-11883413-B2 Inhibition of thymine DNA glycosylase in the treatment of cancer UNG, MPG, TYMP ALDH1A1 1403/4885TDP1 18/4885MAPT 1950/4885

“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.