SCHEMBL186102

SCHEMBL186102

CS(=O)(=O)NCCCCc1cn(C2CCc3c(CC(=O)O)c4ccccn4c3C2)nn1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.46
CYP2C9 P11712 3/20 0.46
PTGDR Q13258 2/20 0.46
SOST Q9BQB4 1/20 0.36
CYP3A4 P08684 1/20 0.33
DDX3X O00571 1/20 0.32
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
HTR4 Q13639 2/20 0.30
KCNH2 Q12809 1/20 0.30
CYP1A2 P05177 1/20 0.30
ALOX15 P16050 1/20 0.30
NFKB1 P19838 1/20 0.30
PMP22 Q01453 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
POLB P06746 1/20 0.30
TBXA2R P21731 1/20 0.30

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
SCHEMBL3085148 0.82 PTGDR2 (0.46) PTGDR2CYP2C9PTGDRCYP3A4KCNH2
SCHEMBL186101 0.81 PTGDR2 (0.47) PTGDR2CYP2C9PTGDRCYP3A4TBXA2R
SCHEMBL3090503 0.80 PTGDR2 (0.44) PTGDR2CYP2C9PTGDRCYP3A4
SCHEMBL3088429 0.79 PTGDR2 (0.51) PTGDR2CYP2C9PTGDRCYP3A4TBXA2R
SCHEMBL3096538 0.77 PTGDR2 (0.46) PTGDR2CYP2C9PTGDRCYP3A4
SCHEMBL3078544 0.76 PTGDR2 (0.47) PTGDR2CYP2C9PTGDRCYP3A4TBXA2R
SCHEMBL3083405 0.75 PTGDR2 (0.54) PTGDR2CYP2C9PTGDRCYP3A4TBXA2R
SCHEMBL3089083 0.75 PTGDR2 (0.48) PTGDR2CYP2C9PTGDRCYP3A4
SCHEMBL3085267 0.75 PTGDR2 (0.44) PTGDR2CYP2C9PTGDR
SCHEMBL3088572 0.74 PTGDR2 (0.44) PTGDR2CYP2C9PTGDRCYP3A4TBXA2R

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 11 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 claimed
US-8394819-B2 Indole derivatives as CRTH2 receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-03-12 US claimed
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 claimed
EP-2401269-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2012-01-04 EP claimed
US-20100234415-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-09-16 US claimed
WO-2010099039-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-09-02 WO claimed
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 2/4885CYP2C9 1320/4885PTGDR 3/4885

“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.