SCHEMBL329649

SCHEMBL329649

O=S(=O)(O)C1Oc2ccccc2O1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.42
SMN1; SMN2 Q16637 3/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 3/20 0.33
NISCH Q9Y2I1 2/20 0.33
POLB P06746 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
HTT P42858 1/20 0.33
CYP2D6 P10635 1/20 0.33
HPGD P15428 1/20 0.33
P2RX4 Q99571 1/20 0.32
KMT2A Q03164 1/20 0.32
CASP6 P55212 1/20 0.32

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
SCHEMBL1841234 0.81 CA2 (0.42) CA2SMN1; SMN2TSHRALDH1A1NISCH
SCHEMBL329648 0.78 CA2 (0.44) CA2TSHRALDH1A1NISCHHTT
SCHEMBL2218998 0.76 CA2 (0.52) CA2NISCH
SCHEMBL7988825 0.76 CA2 (0.42) CA2TSHRALDH1A1NISCHHTT
SCHEMBL1946355 0.71 CA2 (0.46) CA2SMN1; SMN2ALDH1A1NISCHPOLB
Sulfuric Acid SCHEMBL28413292 0.69 MAOA (0.44) SMN1; SMN2TSHRMAOAMAOBHPGD
SCHEMBL10975682 0.69 CA2 (0.44) CA2SMN1; SMN2ALDH1A1POLBHPGD
SCHEMBL10975287 0.69 CA2 (0.44) CA2SMN1; SMN2ALDH1A1POLBHPGD
SCHEMBL2098387 0.67 MAOA (0.54) SMN1; SMN2TSHRALDH1A1MAOAMAOB
SCHEMBL29945051 0.67 MAOA (0.54) SMN1; SMN2TSHRALDH1A1MAOAMAOB

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 49 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-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 (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 679/4885SMN1; SMN2 4708/4885TSHR 657/4885
US-20230128450-A1 NLRX1 LIGANDS NLRP3, NLRP1, NOD1 CA2 4482/4885SMN1; SMN2 447/4885TSHR 2604/4885
US-20090105274-A1 Indolecarboxylic Acid Derivative Having PGD2 Receptor Antagonistic Activity PTGDR, CYSLTR1, CNR1 CA2 490/4885SMN1; SMN2 4785/4885TSHR 538/4885
US-20090197881-A1 Azaindole Derivative Having PGD2 Receptor Antagonistic Activity PTGDR, HRH2, PTGDR2 CA2 815/4885SMN1; SMN2 4693/4885TSHR 672/4885
US-20230167083-A1 LANCL LIGANDS LANCL2, LANCL1, LCLAT1 CA2 2569/4885SMN1; SMN2 3430/4885TSHR 2397/4885
US-20230192652-A1 PLXDC2 LIGANDS PLP2, PDCD1LG2, LCP2 CA2 4849/4885SMN1; SMN2 1009/4885TSHR 2496/4885
US-11597717-B2 Substituted imidazoles as PLXDC2 ligands PLK2, PLEC, PLP2 CA2 4745/4885SMN1; SMN2 2021/4885TSHR 2361/4885
US-20090030014-A1 Indole Derivative Having Pgd2 Receptor Antagonist Activity HRH2, PTGDR, CNR2 CA2 531/4885SMN1; SMN2 4722/4885TSHR 416/4885

“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.