SCHEMBL2005050

SCHEMBL2005050

CCCc1cc2c([N+](=O)[O-])c(Oc3ccc(CC(=O)O)cc3Cl)ccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 8/20 0.52
PTGDR2 Q9Y5Y4 8/20 0.52
PPARG P37231 6/20 0.41
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PPARD Q03181 5/20 0.39
PPARA Q07869 5/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
CYP3A4 P08684 1/20 0.38
RHEB Q15382 1/20 0.37
FFAR1 O14842 1/20 0.35

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
SCHEMBL2005251 0.84 PTGDR (0.55) PTGDRPTGDR2PPARGKDM4EMEN1
SCHEMBL2004566 0.79 CYP3A4 (0.39) PTGDRPTGDR2PPARGKDM4EMEN1
SCHEMBL2000430 0.77 PTGDR2 (0.42) PTGDRPTGDR2PPARGKDM4EMEN1
SCHEMBL2002108 0.76 PTGDR (0.87) PTGDRPTGDR2CYP3A4
SCHEMBL2004735 0.75 CYP3A4 (0.56) PTGDRPTGDR2KDM4EMEN1ALDH1A1
SCHEMBL2010966 0.74 CYP3A4 (0.45) PTGDRPTGDR2KDM4EMEN1ALDH1A1
SCHEMBL12570787 0.72 PTGDR2 (0.46) PTGDRPTGDR2PPARGKDM4EMEN1
SCHEMBL14819909 0.71 PPARD (0.40) PTGDRPTGDR2PPARGMAPTPPARD
SCHEMBL12570790 0.71 PTGDR (0.59) PTGDRPTGDR2KDM4EMEN1ALDH1A1
SCHEMBL2003571 0.71 PPARD (0.40) PTGDRPTGDR2PPARGKDM4EMEN1

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-2164828-B1 COMPOUNDS AS CRTH2 AND/OR PGD2 RECEPTORS MODULATORS AND THEIR USE FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION AMGEN INC (US) 2013-03-27 EP disclosed
EP-2164828-B1 COMPOUNDS AS CRTH2 AND/OR PGD2 RECEPTORS MODULATORS AND THEIR USE FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION AMGEN INC (US) 2013-03-27 EP disclosed
US-7960567-B2 Compounds and methods useful for treating asthma and allergic inflammation AMGEN INC. (US) 2011-06-14 US disclosed
US-7960567-B2 Compounds and methods useful for treating asthma and allergic inflammation AMGEN INC. (US) 2011-06-14 US disclosed
US-7960567-B2 Compounds and methods useful for treating asthma and allergic inflammation AMGEN INC. (US) 2011-06-14 US disclosed
EP-2164828-A2 COMPOUNDS AS CRTH2 AND/OR PGD2 RECEPTORS MODULATORS AND THEIR USE FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION Amgen Inc. (US) 2010-03-24 EP disclosed
US-20080312270-A1 COMPOUNDS AND METHODS USEFUL FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION AMGEN INC. 2008-12-18 US disclosed
US-20080312270-A1 COMPOUNDS AND METHODS USEFUL FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION AMGEN INC. 2008-12-18 US disclosed
US-20080312270-A1 COMPOUNDS AND METHODS USEFUL FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION AMGEN INC. 2008-12-18 US disclosed
WO-2008137027-A2 COMPOUNDS AS CRTH2 AND/OR PGD2 RECEPTORS MODULATORS AND THEIR USE FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION AMGEN INC. (US) 2008-11-13 WO disclosed
WO-2008137027-A2 COMPOUNDS AS CRTH2 AND/OR PGD2 RECEPTORS MODULATORS AND THEIR USE FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION AMGEN INC. (US) 2008-11-13 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 (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-20080312270-A1 COMPOUNDS AND METHODS USEFUL FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION CCL11, LTC4S, TSLP PTGDR 296/4885PTGDR2 253/4885PPARG 111/4885

“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.