SCHEMBL5113450

SCHEMBL5113450

COc1ccc(C(C)=O)cc1CSc1nc2cc(C=O)ccc2n1C(C(=O)O)C(C)(C)C

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.70
GNRHR P30968 3/20 0.54
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 1/20 0.51
ALDH1A1 P00352 8/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPK1 P28482 1/20 0.47
GAA P10253 1/20 0.46
PLA2G1B P04054 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
MEN1 O00255 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL5123043 0.87 PTGDR2 (0.67) PTGDR2GNRHRCYP3A4CYP2C9ALDH1A1
SCHEMBL5121889 0.82 PTGDR2 (1.00) PTGDR2CYP3A4CYP2C9
SCHEMBL5107277 0.80 PTGDR2 (0.68) PTGDR2GNRHRCYP3A4CYP2C9ALDH1A1
SCHEMBL5122028 0.77 PTGDR2 (0.72) PTGDR2GNRHRCYP3A4CYP2C9
SCHEMBL5107158 0.75 PTGDR2 (0.63) PTGDR2GNRHRCYP3A4CYP2C9ALDH1A1
SCHEMBL5114061 0.73 PTGDR2 (1.00) PTGDR2CYP3A4CYP2C9
SCHEMBL5111630 0.72 PTGDR2 (0.73) PTGDR2GNRHRCYP3A4CYP2C9ALDH1A1
SCHEMBL5109197 0.71 PTGDR2 (0.84) PTGDR2CYP3A4CYP2C9
SCHEMBL5114131 0.70 PTGDR2 (0.82) PTGDR2CYP3A4CYP2C9
SCHEMBL5119602 0.70 PTGDR2 (0.82) PTGDR2CYP3A4CYP2C9

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 12/4885GNRHR 1834/4885CYP3A4 4625/4885

“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.