SCHEMBL329294

SCHEMBL329294

O=S(=O)(c1cc2ccccc2s1)c1cc2ccccc2s1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.71
AKR1B1 P15121 2/20 0.64
CYP2A6 P11509 3/20 0.48
BCL2L1 Q07817 1/20 0.47
CCR2 P41597 1/20 0.47
CA9 Q16790 3/20 0.46
CA1 P00915 2/20 0.46
HDAC1 Q13547 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
ASIC3 Q9UHC3 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44

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
SCHEMBL329449 0.85 CA2 (0.69) CA2AKR1B1CYP2A6BCL2L1CCR2
SCHEMBL329450 0.83 CA2 (0.67) CA2AKR1B1CYP2A6BCL2L1CCR2
SCHEMBL12157405 0.83 CA2 (0.67) CA2AKR1B1CYP2A6BCL2L1CCR2
SCHEMBL792780 0.83 CA2 (1.00) CA2CA9CA1
SCHEMBL743918 0.83 CA2 (0.67) CA2AKR1B1CYP2A6BCL2L1CCR2
SCHEMBL25119616 0.83 CA2 (0.67) CA2AKR1B1CYP2A6BCL2L1CCR2
SCHEMBL9376714 0.82 CA2 (0.56) CA2AKR1B1BCL2L1CCR2CA9
Hydrochloric Acid SCHEMBL27538000 0.82 CA2 (0.65) CA2AKR1B1CYP2A6BCL2L1CCR2
SCHEMBL1416155 0.82 CA2 (0.65) CA2AKR1B1CYP2A6BCL2L1CCR2
SCHEMBL19559025 0.82 CA2 (0.59) CA2AKR1B1CYP2A6BCL2L1CCR2

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
CN-107253950-B Compound, preparation method and organic light-emitting display device Shanghai heavenly steed organic light emitting display Technology Co., Ltd. (CN) 2019-12-10 CN claimed
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
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
EP-0151191-A1 Photosensitive material for the production of orginals AMERICAN HOECHST CORPORATION (US) 1985-08-14 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 CA2 679/4885AKR1B1 685/4885CYP2A6 701/4885
US-20230128450-A1 NLRX1 LIGANDS NLRP3, NLRP1, NOD1 CA2 4482/4885AKR1B1 3577/4885CYP2A6 4839/4885
US-20090105274-A1 Indolecarboxylic Acid Derivative Having PGD2 Receptor Antagonistic Activity PTGDR, CYSLTR1, CNR1 CA2 490/4885AKR1B1 913/4885CYP2A6 698/4885
US-20090197881-A1 Azaindole Derivative Having PGD2 Receptor Antagonistic Activity PTGDR, HRH2, PTGDR2 CA2 815/4885AKR1B1 585/4885CYP2A6 616/4885
US-20230167083-A1 LANCL LIGANDS LANCL2, LANCL1, LCLAT1 CA2 2569/4885AKR1B1 1806/4885CYP2A6 4629/4885
US-20230192652-A1 PLXDC2 LIGANDS PLP2, PDCD1LG2, LCP2 CA2 4849/4885AKR1B1 3510/4885CYP2A6 4785/4885
US-11597717-B2 Substituted imidazoles as PLXDC2 ligands PLK2, PLEC, PLP2 CA2 4745/4885AKR1B1 3660/4885CYP2A6 4847/4885
US-20090030014-A1 Indole Derivative Having Pgd2 Receptor Antagonist Activity HRH2, PTGDR, CNR2 CA2 531/4885AKR1B1 554/4885CYP2A6 700/4885

“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.