SCHEMBL4318643

SCHEMBL4318643

Cc1nc2cc(S(=O)(=O)O)ccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.46
TDP1 Q9NUW8 4/20 0.44
HSP90AA1 P07900 1/20 0.44
ESR2 Q92731 1/20 0.44
GAA P10253 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 4/20 0.41
ENPP2 Q13822 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 3/20 0.40
POLB P06746 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
RAB9A P51151 2/20 0.40
SNCA P37840 1/20 0.40
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL17089134 0.87 HDAC6 (0.60) HDAC6TDP1HSP90AA1ESR2GAA
SCHEMBL8501874 0.85 NPBWR1 (0.47) TDP1HSP90AA1ESR2MEN1KMT2A
SCHEMBL14493326 0.83 MAPT (0.51) TDP1HSP90AA1ESR2HSD17B10MEN1
SCHEMBL828238 0.83 HDAC6 (0.59) HDAC6TDP1GAAHSD17B10MEN1
Hydrochloric Acid SCHEMBL32662723 0.82 ALDH1A1 (0.44) TDP1HSP90AA1ESR2GAAHSD17B10
SCHEMBL11371864 0.81 TAS2R14 (0.54) TDP1HSP90AA1ESR2GAAMEN1
SCHEMBL4674386 0.80 HDAC6 (0.46) HDAC6TDP1GAAHSD17B10MEN1
SCHEMBL6027004 0.80 ALDH1A1 (0.46) HDAC6TDP1HSD17B10MEN1KMT2A
SCHEMBL1160168 0.80 HDAC6 (0.46) HDAC6TDP1GAAHSD17B10MEN1
SCHEMBL1108964 0.80 TYMS (0.48) TDP1HSP90AA1ESR2HSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10738205-B2 Polymerizable photoinitiators AGFA NV (BE) 2020-08-11 US disclosed
EP-3421547-A1 COLORING COMPOSITION, INKJET RECORDING INK, INKJET RECORDING METHOD, AND INKJET PRINTER CARTRIDGE FUJIFILM Corporation (JP) 2019-01-02 EP disclosed
US-9982072-B2 Synthesis of acetal compounds AGFA NV (BE) 2018-05-29 US disclosed
US-20160237185-A1 SYNTHESIS OF ACETAL COMPOUNDS AGFA NV (BE) 2016-08-18 US disclosed
US-7569688-B2 Propane-1, 3-dione derivative ASTELLAS PHARMA INC. (JP) 2009-08-04 US disclosed
US-20080293745-A1 New amino-alkyl-amide derivatives as CCR3 receptor ligands SANOFI-AVENTIS (FR) 2008-11-27 US disclosed
US-20080293745-A1 New amino-alkyl-amide derivatives as CCR3 receptor ligands SANOFI-AVENTIS (FR) 2008-11-27 US disclosed
EP-1300398-B1 PROPANE-1,3-DIONE DERIVATIVES ASTELLAS PHARMA INC (JP) 2006-04-05 EP disclosed
US-20050267110-A1 Propane-1, 3-dione derivative YAMANOUCHI PHARMACEUTICAL CO., LTD. 2005-12-01 US disclosed
US-6960591-B2 Propane-1,3-dione derivative YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-20030191164-A1 Propane-1,3-dione derivatives ASTELLAS PHARMA INC. (JP) 2003-10-09 US disclosed
EP-1300398-A1 PROPANE-1,3-DIONE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-04-09 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 (5 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-20080293745-A1 New amino-alkyl-amide derivatives as CCR3 receptor ligands CCR3, CCR1, CCR4 HDAC6 782/4885TDP1 4674/4885HSP90AA1 3789/4885
US-20160237185-A1 SYNTHESIS OF ACETAL COMPOUNDS PAM, GNE, SAV1 HDAC6 1095/4885TDP1 4759/4885HSP90AA1 4415/4885
US-20030191164-A1 Propane-1,3-dione derivatives GNRHR, GPER1, FSHR HDAC6 1694/4885TDP1 3390/4885HSP90AA1 3190/4885
US-20050267110-A1 Propane-1, 3-dione derivative GNRHR, GPER1, FSHR HDAC6 1803/4885TDP1 3371/4885HSP90AA1 3294/4885
US-10738205-B2 Polymerizable photoinitiators PPOX, TPMT, MTHFD2 HDAC6 4079/4885TDP1 551/4885HSP90AA1 2261/4885

“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.