SCHEMBL2010090

SCHEMBL2010090

COC(=O)Cc1ccc(Oc2ccc3[nH]c(C(=O)O)cc3c2[N+](=O)[O-])c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.43
MAPT P10636 5/20 0.41
PKM P14618 1/20 0.41
CYP3A4 P08684 2/20 0.41
TTR P02766 2/20 0.40
KDM4E B2RXH2 5/20 0.40
HPGD P15428 1/20 0.40
ALDH1A1 P00352 2/20 0.39
PABPC1 P11940 1/20 0.39
PTGDR Q13258 3/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39

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
SCHEMBL2010966 0.92 CYP3A4 (0.45) FBP1MAPTCYP3A4TTRKDM4E
SCHEMBL2007357 0.91 MAPT (0.41) MAPTPKMCYP3A4TTRKDM4E
SCHEMBL2006831 0.87 MAPT (0.46) MAPTPKMCYP3A4TTRKDM4E
SCHEMBL14015527 0.87 MAPT (0.42) MAPTPKMCYP3A4TTRKDM4E
SCHEMBL12570809 0.85 PTGDR (0.43) MAPTPKMCYP3A4TTRKDM4E
SCHEMBL12570825 0.84 MAPT (0.40) MAPTPKMCYP3A4TTRKDM4E
SCHEMBL2001379 0.84 ALDH1A1 (0.41) MAPTCYP3A4TTRKDM4EHPGD
SCHEMBL4374371 0.83 KDM4E (0.55) FBP1MAPTPKMKDM4EHPGD
SCHEMBL14014555 0.82 LMNA (0.43) MAPTCYP3A4TTRHPGDALDH1A1
SCHEMBL2004735 0.81 CYP3A4 (0.56) MAPTCYP3A4TTRKDM4EHPGD

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 FBP1 3481/4885MAPT 2290/4885PKM 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.