SCHEMBL329532

SCHEMBL329532

[S]C1Oc2ccccc2O1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.40
ABCG2 Q9UNQ0 1/20 0.36
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
NISCH Q9Y2I1 2/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MPI P34949 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
LMNA P02545 2/20 0.32
CRHBP P24387 2/20 0.32
CRHR2 Q13324 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALOX5 P09917 1/20 0.32
HTT P42858 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
SCHEMBL353825 0.69 PARP1 (0.40) CA2ABCG2ITGB2ICAM1ITGAL
SCHEMBL3655783 0.69 ABCG2 (0.36) CA2ABCG2ITGB2ICAM1ITGAL
SCHEMBL329447 0.69 MAOA (0.46) CA2ABCG2ITGB2ICAM1ITGAL
SCHEMBL8525523 0.69 POLB (0.43) CA2ABCG2ITGB2ICAM1ITGAL
SCHEMBL312107 0.69 ABCG2 (0.36) CA2ABCG2ITGB2ICAM1ITGAL
SCHEMBL11307666 0.69 ABCG2 (0.36) CA2ABCG2ITGB2ICAM1ITGAL
SCHEMBL329533 0.69 ABCG2 (0.36) CA2ABCG2ITGB2ICAM1ITGAL
SCHEMBL446185 0.69 ABCG2 (0.36) CA2ABCG2ITGB2ICAM1ITGAL
SCHEMBL3072276 0.69 MAOA (0.46) CA2ABCG2ITGB2ICAM1ITGAL
SCHEMBL30094184 0.69 BRD4 (0.41) CA2ABCG2ITGB2ICAM1ITGAL

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-4214200-A1 LANCL LIGANDS Nimmune Biopharma, Inc. (US) 2023-07-26 EP disclosed
CN-116368133-A NLRX1 ligand 朗多生物制药股份有限公司 2023-06-30 CN 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
EP-4118081-A1 PLXDC2 LIGANDS LANDOS BIOPHARMA, INC. (US) 2023-01-18 EP 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 679/4885ABCG2 785/4885ITGB2 2936/4885
US-20230128450-A1 NLRX1 LIGANDS NLRP3, NLRP1, NOD1 CA2 4482/4885ABCG2 2888/4885ITGB2 3226/4885
US-20090105274-A1 Indolecarboxylic Acid Derivative Having PGD2 Receptor Antagonistic Activity PTGDR, CYSLTR1, CNR1 CA2 490/4885ABCG2 1121/4885ITGB2 4340/4885
US-20090197881-A1 Azaindole Derivative Having PGD2 Receptor Antagonistic Activity PTGDR, HRH2, PTGDR2 CA2 815/4885ABCG2 846/4885ITGB2 2852/4885
US-20230167083-A1 LANCL LIGANDS LANCL2, LANCL1, LCLAT1 CA2 2569/4885ABCG2 2807/4885ITGB2 3933/4885
US-20230192652-A1 PLXDC2 LIGANDS PLP2, PDCD1LG2, LCP2 CA2 4849/4885ABCG2 3537/4885ITGB2 999/4885
US-11597717-B2 Substituted imidazoles as PLXDC2 ligands PLK2, PLEC, PLP2 CA2 4745/4885ABCG2 1929/4885ITGB2 1074/4885
US-20090030014-A1 Indole Derivative Having Pgd2 Receptor Antagonist Activity HRH2, PTGDR, CNR2 CA2 531/4885ABCG2 320/4885ITGB2 3549/4885

“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.