SCHEMBL5115136

SCHEMBL5115136

CC(C)(C)OC(=O)N(CCCSc1nc2ccccc2n1C(C(=O)O)C(C)(C)C)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 10/20 0.42
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
NCOR2 Q9Y618 1/20 0.36

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
SCHEMBL5107629 0.92 PTGDR2 (0.46) PTGDR2MAPTNPSR1LMNAL3MBTL1
SCHEMBL5121570 0.88 KMT2A (0.43) PTGDR2MAPTNPSR1LMNAL3MBTL1
SCHEMBL5122186 0.88 NPSR1 (0.44) PTGDR2MAPTNPSR1LMNAL3MBTL1
SCHEMBL5107864 0.86 NPSR1 (0.43) PTGDR2MAPTNPSR1LMNAL3MBTL1
SCHEMBL5121197 0.86 PTGDR2 (0.40) PTGDR2MAPTNPSR1LMNA
SCHEMBL5107880 0.85 PTGDR2 (0.44) PTGDR2MAPTNPSR1LMNAL3MBTL1
SCHEMBL5108429 0.84 PTGDR2 (0.41) PTGDR2MAPTNPSR1LMNAL3MBTL1
SCHEMBL5114030 0.84 PTGDR2 (0.38) PTGDR2MAPTNPSR1SMN1; SMN2
SCHEMBL5120798 0.83 PTGDR2 (0.59) PTGDR2MAPTNPSR1LMNAL3MBTL1
SCHEMBL5121162 0.83 PTGDR2 (0.64) 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 2 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 disclosed
US-20080108638-A1 2-Sulfanyl-Benzoimidazol-1-Yl-Acetic Acid Derivatives as Crth2 Antagonists ACTELION PHARMACEUTICALS,LTD. (CH) 2008-05-08 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 (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 12/4885MAPT 4293/4885NPSR1 357/4885

“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.