SCHEMBL5111077

SCHEMBL5111077

CCOC(=O)c1ccccc1N(CCCSc1nc2ccccc2n1CC(=O)O)C(=O)C(c1ccccc1)C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.53
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 1/20 0.43
PABPC1 P11940 1/20 0.42
PDPK1 O15530 2/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL5111076 0.89 PTGDR2 (0.53) PTGDR2POLBMEN1KMT2AHTT
SCHEMBL5113997 0.88 PTGDR2 (0.58) PTGDR2POLBMEN1KMT2APABPC1
SCHEMBL5113939 0.87 PTGDR2 (0.37) PTGDR2HTT
SCHEMBL5107323 0.85 PTGDR2 (0.54) PTGDR2MEN1KMT2APABPC1
SCHEMBL5106685 0.81 PTGDR2 (0.62) PTGDR2POLBMEN1KMT2APDPK1
SCHEMBL5110604 0.81 PTGDR2 (0.57) PTGDR2MEN1KMT2APABPC1
SCHEMBL5107115 0.81 PTGDR2 (0.52) PTGDR2MEN1KMT2APABPC1
SCHEMBL5510603 0.80 PTGDR2 (0.49) PTGDR2MEN1KMT2APABPC1
SCHEMBL5121027 0.80 PTGDR2 (0.59) PTGDR2POLBMEN1KMT2APABPC1
SCHEMBL5499481 0.80 PTGDR2 (0.58) PTGDR2POLBMEN1KMT2APDPK1

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
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
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 12/4885POLB 4834/4885MEN1 4731/4885

“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.