SCHEMBL329795

SCHEMBL329795

[O]S(=O)(=O)c1cccc2oc3ccccc3c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
MAOA P21397 4/20 0.47
KDM4E B2RXH2 4/20 0.47
HPGD P15428 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
GLA P06280 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPT P10636 2/20 0.47
CYP3A4 P08684 1/20 0.47
PGAM1 P18669 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
HDAC1 Q13547 2/20 0.45
CDC14B O60729 1/20 0.42
CDC14A Q9UNH5 1/20 0.42
AHR P35869 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL4907475 0.85 CA1 (0.55) ALDH1A1MAOAKDM4EHPGDSMN1; SMN2
SCHEMBL29945034 0.83 MAOA (0.47) ALDH1A1MAOAKDM4EHPGDSMN1; SMN2
SCHEMBL329796 0.83 MAOA (0.47) ALDH1A1MAOAKDM4EHPGDSMN1; SMN2
SCHEMBL6987366 0.83 MAOA (0.45) ALDH1A1MAOAKDM4EHPGDSMN1; SMN2
SCHEMBL22011703 0.79 CDC14B (0.49) ALDH1A1MAOAKDM4EHPGDSMN1; SMN2
SCHEMBL7599675 0.73 MAOA (0.41) ALDH1A1MAOAKDM4EHPGDSMN1; SMN2
SCHEMBL2195718 0.72 MAOA (0.54) ALDH1A1MAOAKDM4EHPGDSMN1; SMN2
SCHEMBL7943736 0.72 MAOA (0.56) ALDH1A1MAOAKDM4EHPGDSMN1; SMN2
SCHEMBL1635475 0.71 MAOA (0.59) ALDH1A1MAOAKDM4EHPGDSMN1; SMN2
SCHEMBL56942 0.71 MAOA (0.54) ALDH1A1MAOAKDM4EHPGDSMN1; 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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4366733-A1 TETRAHYDROPYRAZOLOPYRIDINE-ANALOG LIGANDS OF NLRX1 AND USES THEREOF LANDOS BIOPHARMA, INC. (US) 2024-05-15 EP disclosed
CN-117835980-A Tetrahydropyrazolopyridine analog ligand of NLRX1 and application thereof 朗多生物制药股份有限公司 2024-04-05 CN disclosed
EP-3927427-B1 LANTHIONINE C-LIKE PROTEIN 2 LIGANDS, CELLS PREPARED THEREWITH, AND THERAPIES USING SAME NIMMUNE BIOPHARMA INC (US) 2024-02-07 EP disclosed
US-20230357744-A1 ENGINEERED TRYPTOPHAN DECARBOXYLASES AND USES THEREOF FOR SYNTHESIZING TRYPTAMINE ANALOGS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2023-11-09 US disclosed
EP-4225315-A2 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING INFLAMMATORY OR IMMUNE-MEDIATED CONDITIONS OF SURFACE TISSUES Nimmune Biopharma, Inc. (US) 2023-08-16 EP disclosed
EP-4214200-A1 LANCL LIGANDS Nimmune Biopharma, Inc. (US) 2023-07-26 EP disclosed
US-20230192652-A1 PLXDC2 LIGANDS LANDOS BIOPHARMA, INC. (US) 2023-06-22 US disclosed
EP-4196475-A1 NLRX1 LIGANDS LANDOS BIOPHARMA, INC. (US) 2023-06-21 EP disclosed
US-20230167083-A1 LANCL LIGANDS LANDOS BIOPHARMA, INC. (US) 2023-06-01 US disclosed
US-20230128450-A1 NLRX1 LIGANDS LANDOS BIOPHARMA, INC. (US) 2023-04-27 US disclosed
US-7956082-B2 Indole derivative having PGD2 receptor antagonist activity SHIONOGI & CO., LTD (JP) 2011-06-07 US disclosed
US-20110028717-A1 AZAINDOLE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY KUGIMIYA AKIRA 2011-02-03 US disclosed
US-7842692-B2 Azaindole derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2010-11-30 US disclosed
US-20090197881-A1 Azaindole Derivative Having PGD2 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2009-08-06 US disclosed
US-20090105274-A1 Indolecarboxylic Acid Derivative Having PGD2 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2009-04-23 US disclosed
US-20090030014-A1 Indole Derivative Having Pgd2 Receptor Antagonist Activity SHIONOGI & CO., LTD. (JP) 2009-01-29 US disclosed
EP-1939175-A1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY Shionogi&Co., Ltd. (JP) 2008-07-02 EP disclosed
EP-1932839-A1 INDOLECARBOXYLIC ACID DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY Shionogi Co., Ltd. (JP) 2008-06-18 EP disclosed
EP-1916245-A1 INDOLE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONIST ACTIVITY Shionogi Co., Ltd. (JP) 2008-04-30 EP disclosed
EP-1911759-A1 AZAINDOLE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY Shionogi Co., Ltd. (JP) 2008-04-16 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 (7 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-20110028717-A1 AZAINDOLE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY PTGDR, HRH2, PTGDR2 ALDH1A1 2051/4885MAOA 1973/4885KDM4E 1882/4885
US-20230128450-A1 NLRX1 LIGANDS NLRP3, NLRP1, NOD1 ALDH1A1 4043/4885MAOA 3625/4885KDM4E 4410/4885
US-20090105274-A1 Indolecarboxylic Acid Derivative Having PGD2 Receptor Antagonistic Activity PTGDR, CYSLTR1, CNR1 ALDH1A1 2660/4885MAOA 987/4885KDM4E 2143/4885
US-20090197881-A1 Azaindole Derivative Having PGD2 Receptor Antagonistic Activity PTGDR, HRH2, PTGDR2 ALDH1A1 1908/4885MAOA 1491/4885KDM4E 1732/4885
US-20230167083-A1 LANCL LIGANDS LANCL2, LANCL1, LCLAT1 ALDH1A1 4156/4885MAOA 4868/4885KDM4E 3554/4885
US-20230192652-A1 PLXDC2 LIGANDS PLP2, PDCD1LG2, LCP2 ALDH1A1 3872/4885MAOA 4531/4885KDM4E 3914/4885
US-20090030014-A1 Indole Derivative Having Pgd2 Receptor Antagonist Activity HRH2, PTGDR, CNR2 ALDH1A1 1616/4885MAOA 1401/4885KDM4E 2680/4885

“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.