SCHEMBL2000722

SCHEMBL2000722

COC(=O)Cc1ccc(Oc2ccc3c(cnn3COCC[Si](C)(C)C)c2[N+](=O)[O-])c(OC)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
LMNA P02545 4/20 0.37
MAPT P10636 3/20 0.37
CASP7 P55210 1/20 0.37
CASP6 P55212 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 4/20 0.36
TTR P02766 1/20 0.35
MEN1 O00255 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
SLC2A1 P11166 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL2000422 0.87 SLC2A1 (0.38) ALDH1A1LMNAMAPTTDP1CYP1A2
SCHEMBL2006733 0.79 PTGDR (0.58) CYP3A4
SCHEMBL30896329 0.76 HPGD (0.39) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL14014555 0.73 LMNA (0.43) ALDH1A1LMNAMAPTCASP7CASP6
SCHEMBL30896332 0.73 F2RL1 (0.36)
SCHEMBL2004270 0.73 TTR (0.39) ALDH1A1LMNAMAPTCASP7CASP6
SCHEMBL2007225 0.71 TTR (0.37) ALDH1A1LMNAMAPTCASP7CASP6
SCHEMBL12570813 0.70 MTNR1A (0.37) ALDH1A1LMNAMAPTCASP7CASP6
SCHEMBL14015527 0.70 MAPT (0.42) ALDH1A1LMNAMAPTCASP7CASP6
SCHEMBL2006831 0.70 MAPT (0.46) ALDH1A1LMNAMAPTCASP7CASP6

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 7 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
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
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 ALDH1A1 495/4885LMNA 4658/4885MAPT 2290/4885

“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.