SCHEMBL3025375

SCHEMBL3025375

CC(C(=O)O)n1c2c(c3ccccc31)C[C@H](NS(=O)(=O)c1ccc(F)cc1)CC2

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 15/20 0.68
PTGDR Q13258 8/20 0.68
TBXA2R P21731 7/20 0.68
CYP2C9 P11712 2/20 0.66
ABCB11 O95342 1/20 0.66
DRD1 P21728 1/20 0.66
CCKAR P32238 1/20 0.66
RB1 P06400 1/20 0.51
HTR6 P50406 2/20 0.45
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40

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
SCHEMBL7588135 1.00 PTGDR2 (0.68) PTGDR2PTGDRTBXA2RCYP2C9ABCB11
SCHEMBL2778488 0.88 PTGDR2 (0.55) PTGDR2PTGDRTBXA2RCYP2C9ABCB11
SCHEMBL9989741 0.88 PTGDR2 (0.53) PTGDR2PTGDRTBXA2RCYP2C9ABCB11
SCHEMBL2775919 0.86 PTGDR2 (0.55) PTGDR2PTGDRTBXA2RCYP2C9ABCB11
SCHEMBL9989737 0.86 PTGDR2 (0.53) PTGDR2PTGDRTBXA2RCYP2C9ABCB11
SCHEMBL30608801 0.81 PTGDR2 (0.70) PTGDR2PTGDRTBXA2RCYP2C9HTR6
SCHEMBL16558830 0.81 PTGDR2 (1.00) PTGDR2PTGDRTBXA2RCYP2C9ABCB11
SCHEMBL18456875 0.81 PTGDR2 (1.00) PTGDR2PTGDRTBXA2RCYP2C9ABCB11
Bicarbonate SCHEMBL9562296 0.81 PTGDR2 (0.82) PTGDR2PTGDRTBXA2RCYP2C9ABCB11
Ramatroban SCHEMBL29030 0.80 PTGDR2 (1.00) PTGDR2PTGDRTBXA2RCYP2C9ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3350179-B1 CRYSTALLINE FORMS IDORSIA PHARMACEUTICALS LTD (CH) 2021-01-13 EP disclosed
US-10351560-B2 Crystalline forms IDORSIA PHARMACEUTICALS LTD (CH) 2019-07-16 US disclosed
US-10301309-B2 Azaindole acetic acid derivatives and their use as prostaglandin D2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2019-05-28 US disclosed
US-20190047996-A1 CRYSTALLINE FORMS IDORSIA PHARMACEUTICALS LTD. (CH) 2019-02-14 US disclosed
CN-106103435-B The purposes of azaindole acetogenin and they as prostaglandin D 2 receptor regulator 爱杜西亚药品有限公司 2018-11-16 CN disclosed
EP-3119780-B1 AZAINDOLE ACETIC ACID DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2018-08-29 EP disclosed
EP-3350179-A1 CRYSTALLINE FORMS Idorsia Pharmaceuticals Ltd (CH) 2018-07-25 EP disclosed
EP-3119779-B1 AZAINDOLE ACETIC ACID DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2018-07-11 EP disclosed
CN-108026093-A Crystal form 爱杜西亚药品有限公司 2018-05-11 CN disclosed
US-20180105520-A1 AZAINDOLE ACETIC ACID DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2018-04-19 US disclosed
US-8273740-B2 antiallergen; not direct way to change nature of immunological response to allergen; G-protein-coupled \"chemoattractant receptor-homologous molecule expressed on Th2 cells (CRTH2)\" antagonist for prostaglandin PGD2, that mediates PGD2-dependent migration of blood Th2 cells; ; asthma, rhinitis, COPD ACTELION PHARMACEUTICALS, LTD. (CH) 2012-09-25 US disclosed
US-20100190830-A1 (3-Amino-1,2,3,4-Tetrahydro-9H-Carbazol-9-yl)-Acetic Acid Derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-29 US disclosed
EP-1740171-B1 INDOL-1-YL-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-06-09 EP disclosed
US-7714132-B2 Tetrahydropyridoindole derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2010-05-11 US disclosed
US-20090270414-A1 2,3,4,9- TETRAHYDRO-1H-CARBAZOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2009-10-29 US disclosed
US-20080108638-A1 2-Sulfanyl-Benzoimidazol-1-Yl-Acetic Acid Derivatives as Crth2 Antagonists ACTELION PHARMACEUTICALS,LTD. (CH) 2008-05-08 US disclosed
EP-1725553-B1 TETRAHYDROPYRIDOINDOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-05-07 EP disclosed
US-20070208004-A1 Indol-1-yl-acetic acid derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-09-06 US disclosed
US-20070191416-A1 Tetrahydropyridoindole derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2007-08-16 US disclosed
US-5684158-A 3-amino!-tetrahydrocarbazole-propanoic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1997-11-04 US 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 (9 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-20080108638-A1 2-Sulfanyl-Benzoimidazol-1-Yl-Acetic Acid Derivatives as Crth2 Antagonists HRH2, HRH1, HRH3 PTGDR2 12/4885PTGDR 32/4885TBXA2R 20/4885
US-20100190830-A1 (3-Amino-1,2,3,4-Tetrahydro-9H-Carbazol-9-yl)-Acetic Acid Derivatives PTGDR, PTGER1, PTGIR PTGDR2 4/4885PTGDR 1/4885TBXA2R 7/4885
US-20090270414-A1 2,3,4,9- TETRAHYDRO-1H-CARBAZOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS HRH2, CRHR2, GRK2 PTGDR2 36/4885PTGDR 42/4885TBXA2R 9/4885
US-10301309-B2 Azaindole acetic acid derivatives and their use as prostaglandin D2 receptor modulators PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885PTGDR 1/4885TBXA2R 9/4885
US-20070208004-A1 Indol-1-yl-acetic acid derivatives IDO1, IDO2, AANAT PTGDR2 2853/4885PTGDR 2419/4885TBXA2R 1495/4885
US-20180105520-A1 AZAINDOLE ACETIC ACID DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885PTGDR 1/4885TBXA2R 9/4885
US-20190047996-A1 CRYSTALLINE FORMS HRH2, HRH1, HRH3 PTGDR2 200/4885PTGDR 254/4885TBXA2R 99/4885
US-10351560-B2 Crystalline forms HRH2, HRH1, HRH3 PTGDR2 200/4885PTGDR 254/4885TBXA2R 99/4885
US-20070191416-A1 Tetrahydropyridoindole derivatives TPH2, TPH1, HTR2C PTGDR2 154/4885PTGDR 119/4885TBXA2R 121/4885

“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.