SCHEMBL2670026

SCHEMBL2670026

CCOC(=O)Cn1c(C)c(Cc2ccccc2S(=O)(=O)O)c2cc(F)ccc21.[NaH]

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 18/20 0.65
ALDH1A1 P00352 1/20 0.47
HK1 P19367 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HKDC1 Q2TB90 1/20 0.47
PTGIR P43119 1/20 0.46
PTGDR Q13258 1/20 0.46
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL2670014 0.91 PTGDR2 (0.64) PTGDR2ALDH1A1HK1SMN1; SMN2HKDC1
SCHEMBL2670024 0.91 PTGDR2 (0.62) PTGDR2ALDH1A1HK1SMN1; SMN2HKDC1
SCHEMBL1466770 0.90 PTGDR2 (0.67) PTGDR2ALDH1A1HK1HKDC1PTGIR
SCHEMBL2272115 0.90 PTGDR2 (0.81) PTGDR2
SCHEMBL2277554 0.90 PTGDR2 (0.75) PTGDR2ALDH1A1HK1SMN1; SMN2HKDC1
SCHEMBL3178268 0.88 PTGDR2 (0.62) PTGDR2SMN1; SMN2
SCHEMBL2670035 0.87 PTGDR2 (0.60) PTGDR2ALDH1A1HK1SMN1; SMN2HKDC1
SCHEMBL2272170 0.87 PTGDR2 (0.70) PTGDR2PTGDR
SCHEMBL2670222 0.86 PTGDR2 (0.57) PTGDR2ALDH1A1HK1SMN1; SMN2HKDC1
SCHEMBL1466461 0.83 PTGDR2 (0.65) PTGDR2ALDH1A1HK1HKDC1PTGIR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168673-B2 Compounds having CRTH2 antagonist activity OXAGEN LIMITED (GB) 2012-05-01 US disclosed
EP-2240444-A1 COMPOUNDS HAVING CRTH2 ANTAGONIST ACTIVITY Oxagen Limited (GB) 2010-10-20 EP disclosed
WO-2009093029-A1 COMPOUNDS HAVING CRTH2 ANTAGONIST ACTIVITY OXAGEN LIMITED (GB) 2009-07-30 WO disclosed
US-20090192195-A1 Compounds Having CRTH2 Antagonist Activity OXAGEN LIMITED (GB) 2009-07-30 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-20090192195-A1 Compounds Having CRTH2 Antagonist Activity HRH2, NR3C2, NR2C2 PTGDR2 112/4885ALDH1A1 3417/4885HK1 2392/4885

“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.