SCHEMBL2000430

SCHEMBL2000430

CCc1c(C)[nH]c2ccc(Oc3ccc(CC(=O)O)cc3Cl)c([N+](=O)[O-])c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.42
PTGDR Q13258 5/20 0.42
PPARD Q03181 5/20 0.38
PPARA Q07869 3/20 0.38
NQO2 P16083 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
CYP3A4 P08684 1/20 0.37
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
AKR1C2 P52895 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 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
SCHEMBL2003981 0.84 PTGDR2 (0.47) PTGDR2PTGDRPPARDCYP3A4KDM4E
SCHEMBL2003571 0.82 PPARD (0.40) PTGDR2PTGDRPPARDPPARANQO2
SCHEMBL2004566 0.81 CYP3A4 (0.39) PTGDR2PTGDRPPARDPPARACYP3A4
SCHEMBL2005050 0.77 PTGDR (0.52) PTGDR2PTGDRPPARDPPARACYP3A4
SCHEMBL2002473 0.76 KDM4E (0.40) PTGDR2PTGDRPPARDPPARAMTNR1A
SCHEMBL14819909 0.71 PPARD (0.40) PTGDR2PTGDRPPARDPPARAMAPT
SCHEMBL2004352 0.71 DCTPP1 (0.38) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL2004735 0.69 CYP3A4 (0.56) PTGDR2PTGDRCYP3A4KDM4EMEN1
SCHEMBL2006729 0.68 PDE7A (0.47) PTGDR2PTGDRPPARDPPARACYP3A4
SCHEMBL4146390 0.66 KDM4E (0.52) CYP3A4KDM4EMEN1ALDH1A1MAPT

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 PTGDR2 253/4885PTGDR 296/4885PPARD 228/4885

“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.