SCHEMBL5116325

SCHEMBL5116325

COC(=O)c1cccc(CSc2nc3cc([N+](=O)[O-])ccc3n2CC(=O)O)c1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 15/20 0.74
DRD2 P14416 1/20 0.56
TBXA2R P21731 1/20 0.56
ALDH1A1 P00352 1/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 1/20 0.48

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
SCHEMBL5110483 0.86 PTGDR2 (0.67) PTGDR2MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL5113433 0.85 PTGDR2 (0.79) PTGDR2DRD2TBXA2R
SCHEMBL5109253 0.85 PTGDR2 (1.00) PTGDR2DRD2TBXA2RMAPT
SCHEMBL5110218 0.83 PTGDR2 (0.79) PTGDR2DRD2TBXA2RSMN1; SMN2MAPT
SCHEMBL5115652 0.83 PTGDR2 (0.75) PTGDR2DRD2TBXA2RMAPT
SCHEMBL5121659 0.83 PTGDR2 (0.75) PTGDR2DRD2TBXA2RMAPT
SCHEMBL5115872 0.83 PTGDR2 (0.77) PTGDR2DRD2TBXA2RSMN1; SMN2MAPT
SCHEMBL5120417 0.82 PTGDR2 (0.50) PTGDR2DRD2TBXA2RALDH1A1MEN1
SCHEMBL5112163 0.78 PTGDR2 (0.67) PTGDR2MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL5116480 0.77 PTGDR2 (1.00) PTGDR2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080108638-A1 2-Sulfanyl-Benzoimidazol-1-Yl-Acetic Acid Derivatives as Crth2 Antagonists ACTELION PHARMACEUTICALS,LTD. (CH) 2008-05-08 US claimed
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-20080108638-A1 2-Sulfanyl-Benzoimidazol-1-Yl-Acetic Acid Derivatives as Crth2 Antagonists ACTELION PHARMACEUTICALS,LTD. (CH) 2008-05-08 US disclosed
EP-1784182-A1 2-SULFANYL-BENZIMIDAZOL-1-YL-ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2007-05-16 EP disclosed
WO-2006021418-A1 2-SULFANYL-BENZOIMIDAZOL-1-YL-ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-03-02 WO 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 (1 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 12/4885DRD2 1984/4885TBXA2R 20/4885

“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.