SCHEMBL5118599

SCHEMBL5118599

CCSc1nc2ccccc2n1CC(=O)O

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.76
NPC1 O15118 1/20 0.74
HSD17B10 Q99714 1/20 0.74
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
ALDH1A1 P00352 1/20 0.69
NPSR1 Q6W5P4 1/20 0.67
POLB P06746 1/20 0.65

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
SCHEMBL5115286 0.89 PTGDR2 (0.85) PTGDR2MEN1KMT2APOLB
SCHEMBL11887749 0.87 PTGDR2 (0.75) PTGDR2MEN1KMT2AALDH1A1
SCHEMBL5109258 0.87 PTGDR2 (1.00) PTGDR2MEN1KMT2APOLB
SCHEMBL5107252 0.85 PTGDR2 (1.00) PTGDR2MEN1KMT2APOLB
SCHEMBL5110177 0.85 MEN1 (0.72) PTGDR2MEN1KMT2AALDH1A1
SCHEMBL5110477 0.85 MEN1 (0.72) PTGDR2MEN1KMT2AALDH1A1
SCHEMBL5120452 0.84 PTGDR2 (1.00) PTGDR2
SCHEMBL5120272 0.84 PTGDR2 (1.00) PTGDR2MEN1KMT2APOLB
SCHEMBL5115401 0.84 PTGDR2 (1.00) PTGDR2MEN1KMT2APOLB
SCHEMBL5107724 0.83 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
CN-101052397-B 2-sulfanyl-benzoimidazol-1-yl-acetic acid derivatives ACTELION PHARMACEUTICALS LTD 2011-07-06 CN claimed
US-20080108638-A1 2-Sulfanyl-Benzoimidazol-1-Yl-Acetic Acid Derivatives as Crth2 Antagonists ACTELION PHARMACEUTICALS,LTD. (CH) 2008-05-08 US claimed
CN-101052397-A 2-sulfanyl-benzoimidazol-1-yl-acetic acid derivatives ACTELION PHARMACEUTICALS LTD (CH) 2007-10-10 CN claimed
EP-1784182-A1 2-SULFANYL-BENZIMIDAZOL-1-YL-ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2007-05-16 EP claimed
WO-2006021418-A1 2-SULFANYL-BENZOIMIDAZOL-1-YL-ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-03-02 WO 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
CN-101052397-B 2-sulfanyl-benzoimidazol-1-yl-acetic acid derivatives ACTELION PHARMACEUTICALS LTD 2011-07-06 CN disclosed
US-20080108638-A1 2-Sulfanyl-Benzoimidazol-1-Yl-Acetic Acid Derivatives as Crth2 Antagonists ACTELION PHARMACEUTICALS,LTD. (CH) 2008-05-08 US disclosed
CN-101052397-A 2-sulfanyl-benzoimidazol-1-yl-acetic acid derivatives ACTELION PHARMACEUTICALS LTD (CH) 2007-10-10 CN 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 12/4885NPC1 4454/4885HSD17B10 1466/4885

“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.