SCHEMBL5110177

SCHEMBL5110177

CSc1nc2ccccc2n1CC(=O)O

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.72
ALDH1A1 P00352 1/20 0.72
KMT2A Q03164 1/20 0.72
LMNA P02545 3/20 0.71
PTGDR2 Q9Y5Y4 15/20 0.68
SMN1; SMN2 Q16637 1/20 0.63
MAPT P10636 1/20 0.60
RECQL P46063 1/20 0.60

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
SCHEMBL5118599 0.85 PTGDR2 (0.76) MEN1ALDH1A1KMT2APTGDR2
SCHEMBL5114459 0.84 ALDH1A1 (1.00) MEN1ALDH1A1KMT2APTGDR2
SCHEMBL11887749 0.84 PTGDR2 (0.75) MEN1ALDH1A1KMT2APTGDR2
SCHEMBL5115286 0.83 PTGDR2 (0.85) MEN1KMT2APTGDR2
SCHEMBL5110477 0.82 MEN1 (0.72) MEN1ALDH1A1KMT2APTGDR2
SCHEMBL5120452 0.81 PTGDR2 (1.00) PTGDR2SMN1; SMN2MAPT
SCHEMBL5109258 0.81 PTGDR2 (1.00) MEN1KMT2APTGDR2
SCHEMBL5121426 0.81 ALDH1A1 (0.79) MEN1ALDH1A1KMT2APTGDR2
SCHEMBL5115840 0.81 ALDH1A1 (0.79) MEN1ALDH1A1KMT2APTGDR2
SCHEMBL3972391 0.81 MAPT (0.60) MEN1ALDH1A1KMT2ALMNASMN1; SMN2

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 MEN1 4731/4885ALDH1A1 470/4885KMT2A 3454/4885

“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.