SCHEMBL3097129

SCHEMBL3097129

CS(=O)(=O)OC1CCc2c(CC(=O)O)c3cccc(F)c3n2C1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.61
PTGDR Q13258 16/20 0.61
TBXA2R P21731 12/20 0.61
CYP2C9 P11712 4/20 0.61
SLC6A3 Q01959 2/20 0.45
CYP3A4 P08684 1/20 0.45
DRD2 P14416 1/20 0.45
GABRA1 P14867 1/20 0.45
ADRA1D P25100 1/20 0.45
KCNH2 Q12809 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
SCHEMBL3091930 1.00 PTGDR2 (0.61) PTGDR2PTGDRTBXA2RCYP2C9SLC6A3
SCHEMBL29661045 0.89 PTGDR2 (0.49) PTGDR2PTGDRTBXA2RCYP2C9SLC6A3
SCHEMBL3088522 0.83 PTGDR2 (0.64) PTGDR2PTGDRTBXA2RCYP2C9SLC6A3
SCHEMBL3079791 0.81 PTGDR2 (0.49) PTGDR2PTGDRTBXA2RCYP2C9SLC6A3
SCHEMBL15428828 0.79 PTGDR2 (0.60) PTGDR2PTGDRTBXA2RCYP2C9SLC6A3
SCHEMBL13153909 0.73 PTGDR2 (0.52) PTGDR2PTGDRTBXA2RCYP2C9
SCHEMBL3092003 0.72 PTGDR2 (0.53) PTGDR2PTGDRTBXA2RCYP2C9SLC6A3
SCHEMBL12417152 0.71 PTGDR2 (0.78) PTGDR2PTGDRTBXA2RCYP2C9SLC6A3
SCHEMBL13153904 0.71 PTGDR2 (0.47) PTGDR2PTGDRTBXA2RCYP2C9SLC6A3
SCHEMBL3102600 0.70 PTGDR2 (0.52) PTGDR2PTGDRTBXA2RCYP2C9SLC6A3

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
EP-2492267-B1 Indole derivatives as CRTH2 receptor antagonists in combination with a second active ingredient MERCK SHARP & DOHME (US) 2014-11-26 EP disclosed
EP-2401269-B1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-01-29 EP disclosed
US-8394819-B2 Indole derivatives as CRTH2 receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-03-12 US disclosed
EP-2492267-A1 Indole derivatives as CRTH2 receptor antagonists in combination with a second active ingredient Merck Sharp & Dohme Corp. (US) 2012-08-29 EP disclosed
US-20100234415-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-09-16 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-20100234415-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS PTGER2, PTGDR2, PTGDR PTGDR2 2/4885PTGDR 3/4885TBXA2R 28/4885

“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.