SCHEMBL316993

SCHEMBL316993

Cc1cc(-c2c(C)n(CC(=O)O)c3ccc(C#N)cc23)c2ccccc2n1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 18/20 0.76
MAPK1 P28482 2/20 0.51
ALDH1A1 P00352 1/20 0.51
STAT3 P40763 1/20 0.51
PTGS1 P23219 2/20 0.46
CYP2C9 P11712 2/20 0.46
SLC6A4 P31645 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTGS2 P35354 1/20 0.46
PTGDR Q13258 2/20 0.46
PTGIR P43119 1/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RXFP1 Q9HBX9 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
SCHEMBL318465 0.91 PTGDR2 (0.62) PTGDR2MAPK1ALDH1A1STAT3CYP2C9
SCHEMBL16211102 0.82 PTGDR2 (0.76) PTGDR2MAPK1ALDH1A1STAT3PTGS1
SCHEMBL317636 0.78 PTGDR2 (0.77) PTGDR2PTGS1CYP2C9SLC6A4CYP2C19
SCHEMBL317511 0.78 PTGDR2 (0.77) PTGDR2MAPK1ALDH1A1STAT3PTGS1
SCHEMBL317797 0.76 PTGDR2 (0.80) PTGDR2PTGS1CYP2C9SLC6A4CYP2C19
SCHEMBL317269 0.76 PTGDR2 (0.78) PTGDR2MAPK1ALDH1A1STAT3PTGS1
SCHEMBL317251 0.76 PTGDR2 (0.66) PTGDR2MAPK1ALDH1A1STAT3PTGS1
SCHEMBL317475 0.75 PTGDR2 (0.79) PTGDR2MAPK1ALDH1A1STAT3PTGS1
SCHEMBL317218 0.73 PTGDR2 (0.76) PTGDR2PTGS1CYP2C9SLC6A4CYP2C19
SCHEMBL318378 0.73 PTGDR2 (0.66) PTGDR2ALDH1A1PTGS1CYP2C9SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754735-B2 Substituted indoles ASTRAZENECA AB (SE) 2010-07-13 US claimed
US-20050222201-A1 such as 3-(2-chloro-4-quinolinyl)-2,5-dimethyl-1H-indole-1-acetic acid, used for treating respiratory system disorders and as inhibitors of G protein-coupled receptor chemoattractant homologous receptor expressed on lymphocyte cells (CRTH2) ASTRAZENECA AB (SE) 2005-10-06 US claimed
US-20140328861-A1 Combination of CRTH2 Antagonist and a Proton Pump Inhibitor for the Treatment of Eosinophilic Esophagitis ATOPIX THERAPEUTICS LTD (GB) 2014-11-06 US disclosed
US-8093278-B2 Substituted indoles ASTRAZENECA AB (SE) 2012-01-10 US disclosed
US-20100210685-A1 Novel Substituted Indoles ASTRAZENECA AB (SE) 2010-08-19 US disclosed
US-7754735-B2 Substituted indoles ASTRAZENECA AB (SE) 2010-07-13 US disclosed
US-20050222201-A1 such as 3-(2-chloro-4-quinolinyl)-2,5-dimethyl-1H-indole-1-acetic acid, used for treating respiratory system disorders and as inhibitors of G protein-coupled receptor chemoattractant homologous receptor expressed on lymphocyte cells (CRTH2) ASTRAZENECA AB (SE) 2005-10-06 US disclosed
EP-1549634-A1 NOVEL SUBSTITUTED INDOLES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2003101981-A1 NOVEL SUBSTITUTED INDOLES ASTRAZENECA AB (SE) 2003-12-11 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 (3 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-20100210685-A1 Novel Substituted Indoles IDO1, IDO2, TPH1 PTGDR2 429/4885MAPK1 3873/4885ALDH1A1 298/4885
US-20050222201-A1 such as 3-(2-chloro-4-quinolinyl)-2,5-dimethyl-1H-indole-1-acetic acid, used for treating respiratory system disorders and as inhibitors of G protein-coupled receptor chemoattractant homologous receptor expressed on lymphocyte cells (CRTH2) HRH2, HRH1, HCAR2 PTGDR2 54/4885MAPK1 1748/4885ALDH1A1 533/4885
US-20140328861-A1 Combination of CRTH2 Antagonist and a Proton Pump Inhibitor for the Treatment of Eosinophilic Esophagitis HRH2, HRH1, HRH4 PTGDR2 59/4885MAPK1 1395/4885ALDH1A1 3414/4885

“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.