SCHEMBL2052563

SCHEMBL2052563

COC(=O)c1ccc(Oc2c(C)n(CC(=O)O)c3ccc(Cl)cc23)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 17/20 0.71
AKR1B1 P15121 3/20 0.51
CYP2C9 P11712 3/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.44
CYP1A2 P05177 2/20 0.44
MAPT P10636 2/20 0.44
PMP22 Q01453 2/20 0.44
KMT2A Q03164 2/20 0.44
HIF1A Q16665 2/20 0.44
RGS12 O14924 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
GNAI1 P63096 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL3372368 0.90 PTGDR2 (0.76) PTGDR2AKR1B1CYP2C9
SCHEMBL2050711 0.89 PTGDR2 (0.74) PTGDR2AKR1B1CYP2C9LMNACYP1A2
SCHEMBL3373960 0.88 PTGDR2 (0.70) PTGDR2AKR1B1CYP2C9TSHR
SCHEMBL3374906 0.87 PTGDR2 (0.54) PTGDR2AKR1B1CYP2C9MEN1LMNA
SCHEMBL2031573 0.87 PTGDR2 (0.67) PTGDR2AKR1B1PTGS2
SCHEMBL3373433 0.87 PTGDR2 (0.67) PTGDR2AKR1B1CYP2C9
SCHEMBL2049959 0.83 PTGDR2 (1.00) PTGDR2AKR1B1CYP2C9AKR1C3AKR1C2
SCHEMBL3373819 0.83 PTGDR2 (0.71) PTGDR2AKR1B1CYP2C9
SCHEMBL3372721 0.81 PTGDR2 (0.79) PTGDR2AKR1B1CYP2C9MEN1LMNA
SCHEMBL3375010 0.81 PTGDR2 (0.57) PTGDR2AKR1B1LMNAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4709758-B2 2011-06-22 JP claimed
EP-1656347-B1 SUBSTITUTED INDOLE DERIVATIVES FOR PHARMACEUTICAL COMPOSITION FOR TREATING RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2010-10-13 EP claimed
US-7709521-B2 Substituted indole derivatives for pharmaceutical compositions for treating respiratory diseases ASTRAZENECA AB (SE) 2010-05-04 US claimed
JP-2007502804-A 2007-02-15 JP claimed
US-20060264444-A1 Substituted indole derivatives for pharmaceutical compositions for treating respiratory diseases ASTRAZENECA AB (SE) 2006-11-23 US claimed
EP-1656347-A1 SUBSTITUTED INDOLE DERIVATIVES FOR PHARMACEUTICAL COMPOSITION FOR TREATING RESPIRATORY DISEASES Astrazeneca AB (SE) 2006-05-17 EP claimed
WO-2005019171-A1 SUBSTITUTED INDOLE DERIVATIVES FOR PHARMACEUTICAL COMPOSITION FOR TREATING RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2005-03-03 WO 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
EP-1656347-B1 SUBSTITUTED INDOLE DERIVATIVES FOR PHARMACEUTICAL COMPOSITION FOR TREATING RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2010-10-13 EP disclosed
US-7709521-B2 Substituted indole derivatives for pharmaceutical compositions for treating respiratory diseases ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-20060264444-A1 Substituted indole derivatives for pharmaceutical compositions for treating respiratory diseases ASTRAZENECA AB (SE) 2006-11-23 US disclosed
EP-1656347-A1 SUBSTITUTED INDOLE DERIVATIVES FOR PHARMACEUTICAL COMPOSITION FOR TREATING RESPIRATORY DISEASES Astrazeneca AB (SE) 2006-05-17 EP disclosed
WO-2005019171-A1 SUBSTITUTED INDOLE DERIVATIVES FOR PHARMACEUTICAL COMPOSITION FOR TREATING RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2005-03-03 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 (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-20060264444-A1 Substituted indole derivatives for pharmaceutical compositions for treating respiratory diseases IDO1, IDO2, TPH1 PTGDR2 303/4885AKR1B1 296/4885CYP2C9 178/4885
US-20140328861-A1 Combination of CRTH2 Antagonist and a Proton Pump Inhibitor for the Treatment of Eosinophilic Esophagitis HRH2, HRH1, HRH4 PTGDR2 59/4885AKR1B1 3801/4885CYP2C9 2737/4885

“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.