SCHEMBL2670041

SCHEMBL2670041

CCOC(=O)Cn1c(C)c(Cc2ccc(S(=O)(=O)Cl)cc2)c2cc(F)ccc21

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 18/20 0.64
ALDH1A1 P00352 1/20 0.50
HK1 P19367 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HKDC1 Q2TB90 1/20 0.50
TBXAS1 P24557 1/20 0.47

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
SCHEMBL3184619 0.86 PTGDR2 (0.62) PTGDR2SMN1; SMN2
SCHEMBL2670064 0.86 PTGDR2 (0.62) PTGDR2ALDH1A1HK1SMN1; SMN2HKDC1
SCHEMBL2670013 0.85 PTGDR2 (0.58) PTGDR2ALDH1A1HK1SMN1; SMN2HKDC1
SCHEMBL2670014 0.83 PTGDR2 (0.64) PTGDR2ALDH1A1HK1SMN1; SMN2HKDC1
SCHEMBL1466230 0.82 PTGDR2 (0.67) PTGDR2TBXAS1
SCHEMBL3187497 0.82 PTGDR2 (0.54) PTGDR2SMN1; SMN2
Benzaldehyde SCHEMBL2879447 0.81 PTGDR2 (0.57) PTGDR2ALDH1A1HK1SMN1; SMN2HKDC1
SCHEMBL2670025 0.81 PTGDR2 (0.54) PTGDR2ALDH1A1HK1SMN1; SMN2HKDC1
SCHEMBL1785555 0.80 PTGDR2 (0.82) PTGDR2
SCHEMBL2277554 0.79 PTGDR2 (0.75) PTGDR2ALDH1A1HK1SMN1; SMN2HKDC1

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
US-20090192195-A1 Compounds Having CRTH2 Antagonist Activity OXAGEN LIMITED (GB) 2009-07-30 US disclosed
WO-2009093029-A1 COMPOUNDS HAVING CRTH2 ANTAGONIST ACTIVITY OXAGEN LIMITED (GB) 2009-07-30 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-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.