SCHEMBL2000728

SCHEMBL2000728

CCOC(=O)Cc1ccc(Oc2ccc3[nH]c(=O)ccc3c2[N+](=O)[O-])c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.39
TTR P02766 1/20 0.39
PKM P14618 2/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
MCL1 Q07820 1/20 0.38
MAPT P10636 4/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 2/20 0.37
CDC25A P30304 1/20 0.37
CDC25B P30305 1/20 0.37
HIF1A Q16665 1/20 0.37
TNF P01375 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PABPC1 P11940 1/20 0.37
KMT2A Q03164 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL2006635 0.90 CYP3A4 (0.46) DRD2TTRPKMCYP3A4MAPT
SCHEMBL2001379 0.87 ALDH1A1 (0.41) DRD2TTRCYP3A4MAPTLMNA
SCHEMBL12628073 0.85 PTGDR (0.39) DRD2TTRPKMPOLBCYP3A4
SCHEMBL2007980 0.85 ALDH1A1 (0.41) DRD2PKMCYP3A4CACNA1BAPBA1
SCHEMBL12628085 0.84 PKM (0.41) DRD2PKMCYP3A4CACNA1BAPBA1
SCHEMBL2012915 0.79 ALDH1A1 (0.46) DRD2TTRMAPTLMNATNF
SCHEMBL2006831 0.79 MAPT (0.46) TTRPKMCYP3A4MAPTLMNA
SCHEMBL14015527 0.79 MAPT (0.42) TTRPKMCYP3A4MAPTLMNA
SCHEMBL2006121 0.79 ATM (0.44) DRD2TTRMAPTLMNAALDH1A1
SCHEMBL2004735 0.79 CYP3A4 (0.56) TTRCYP3A4MAPTKDM4EALDH1A1

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 10 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
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 DRD2 4195/4885TTR 4580/4885PKM 3491/4885

“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.