SCHEMBL329916

SCHEMBL329916

[O]S(=O)(=O)c1cccc2ncc3ccccc3c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
GPR3 P46089 1/20 0.50
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
HTT P42858 1/20 0.38
CYP1A2 P05177 1/20 0.36
LOXL2 Q9Y4K0 2/20 0.36
P4HTM Q9NXG6 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ERN1 O75460 1/20 0.35
PRSS1 P07477 2/20 0.35
SLC22A12 Q96S37 1/20 0.35
C1R P00736 1/20 0.35
HTR6 P50406 1/20 0.34
F2 P00734 1/20 0.34

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
SCHEMBL27636764 0.87 CA2 (0.56) KDM4EGPR3CA1CA2CA9
SCHEMBL329917 0.86 KDM4E (0.49) KDM4EGPR3CA1CA2CA9
SCHEMBL9780253 0.86 KDM4E (0.49) KDM4EGPR3CA1CA2CA9
SCHEMBL30857515 0.79 KDM4E (0.61) KDM4EGPR3CYP1A2ALDH1A1LMNA
Benzene SCHEMBL12471481 0.78 ALDH1A1 (0.51) KDM4EGPR3CA1CA2CA9
SCHEMBL329543 0.76 KDM4E (0.57) KDM4EGPR3HTTCYP1A2ALDH1A1
SCHEMBL28289329 0.75 KDM4E (0.55) KDM4EGPR3CA9CYP1A2ALDH1A1
SCHEMBL9038627 0.74 KDM4E (0.59) KDM4EGPR3HTTCYP1A2ALDH1A1
SCHEMBL6590915 0.74 KDM4E (0.59) KDM4EGPR3CA9CYP1A2ALDH1A1
SCHEMBL27973182 0.74 GPR3 (0.64) KDM4EGPR3HTTCYP1A2ALDH1A1

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 53 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
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-11597717-B2 Substituted imidazoles as PLXDC2 ligands LANDOS BIOPHARMA, INC. (US) 2023-03-07 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
CN-101273013-A Sulfonamide derivative having PGD2 receptor antagonistic activity SHIONOGI & CO (JP) 2008-09-24 CN 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 (8 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 KDM4E 1882/4885GPR3 18/4885CA1 4034/4885
US-20230128450-A1 NLRX1 LIGANDS NLRP3, NLRP1, NOD1 KDM4E 4410/4885GPR3 217/4885CA1 3842/4885
US-20090105274-A1 Indolecarboxylic Acid Derivative Having PGD2 Receptor Antagonistic Activity PTGDR, CYSLTR1, CNR1 KDM4E 2143/4885GPR3 35/4885CA1 2678/4885
US-20090197881-A1 Azaindole Derivative Having PGD2 Receptor Antagonistic Activity PTGDR, HRH2, PTGDR2 KDM4E 1732/4885GPR3 18/4885CA1 4122/4885
US-20230167083-A1 LANCL LIGANDS LANCL2, LANCL1, LCLAT1 KDM4E 3554/4885GPR3 1079/4885CA1 2862/4885
US-20230192652-A1 PLXDC2 LIGANDS PLP2, PDCD1LG2, LCP2 KDM4E 3914/4885GPR3 1272/4885CA1 4861/4885
US-11597717-B2 Substituted imidazoles as PLXDC2 ligands PLK2, PLEC, PLP2 KDM4E 2042/4885GPR3 2228/4885CA1 4882/4885
US-20090030014-A1 Indole Derivative Having Pgd2 Receptor Antagonist Activity HRH2, PTGDR, CNR2 KDM4E 2680/4885GPR3 33/4885CA1 3094/4885

“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.