SCHEMBL2190260

SCHEMBL2190260

CC(C(=O)O)c1c2c(n3ccccc13)C[C@H](N(C)S(=O)(=O)c1ccc(F)cc1)CC2

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 19/20 0.71
PTGDR Q13258 16/20 0.71
CYP2C9 P11712 6/20 0.71
CYP3A4 P08684 2/20 0.62
TBXA2R P21731 9/20 0.55
DRD2 P14416 1/20 0.51
GABRA1 P14867 1/20 0.51
ADRA1D P25100 1/20 0.51
SLC6A3 Q01959 1/20 0.51
KCNH2 Q12809 1/20 0.45
HTR6 P50406 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
SCHEMBL2187459 1.00 PTGDR2 (0.71) PTGDR2PTGDRCYP2C9CYP3A4TBXA2R
SCHEMBL2188061 1.00 PTGDR2 (0.71) PTGDR2PTGDRCYP2C9CYP3A4TBXA2R
SCHEMBL3547689 0.84 PTGDR2 (0.73) PTGDR2PTGDRCYP2C9CYP3A4TBXA2R
SCHEMBL3242718 0.83 PTGDR2 (1.00) PTGDR2PTGDRCYP2C9CYP3A4TBXA2R
SCHEMBL15428835 0.83 PTGDR2 (1.00) PTGDR2PTGDRCYP2C9CYP3A4TBXA2R
SCHEMBL233949 0.83 PTGDR2 (1.00) PTGDR2PTGDRCYP2C9CYP3A4TBXA2R
SCHEMBL3550194 0.82 PTGDR2 (0.71) PTGDR2PTGDRCYP2C9CYP3A4TBXA2R
SCHEMBL3552555 0.82 PTGDR2 (0.70) PTGDR2PTGDRCYP2C9CYP3A4TBXA2R
SCHEMBL232732 0.78 PTGDR2 (0.80) PTGDR2PTGDRCYP2C9CYP3A4TBXA2R
SCHEMBL2188055 0.78 PTGDR2 (0.70) PTGDR2PTGDRCYP2C9CYP3A4TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201641-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA LTD (CA) 2011-08-18 US disclosed
US-20110172263-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA LTD (CA) 2011-07-14 US disclosed
EP-2342201-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS Merck Canada Inc. (CA) 2011-07-13 EP 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 (2 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-20110172263-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS PTGER2, PTGDR2, PTGDR PTGDR2 2/4885PTGDR 3/4885CYP2C9 1320/4885
US-20110201641-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS HRH2, MTNR1B, MTNR1A PTGDR2 7/4885PTGDR 6/4885CYP2C9 1151/4885

“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.