SCHEMBL2294886

SCHEMBL2294886

O=Cc1ccc(CSc2ccc(O)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH5A1 P51649 1/20 0.57
ABAT P80404 1/20 0.57
ALDH1A1 P00352 6/20 0.42
CA2 P00918 1/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 5/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 3/20 0.37
HPGD P15428 2/20 0.37
MAOB P27338 3/20 0.37
MAOA P21397 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MIF P14174 1/20 0.37
APP P05067 1/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL13695939 1.00 ALDH5A1 (0.57) ALDH5A1ABATALDH1A1CA2ESR1
SCHEMBL3241580 0.84 MEN1 (0.50) ABATALDH1A1CA2ESR1ESR2
SCHEMBL12521588 0.84 MIF (0.41) ALDH1A1CA2ESR1ESR2MEN1
SCHEMBL20704671 0.82 CYP2A6 (0.57) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL21331846 0.82 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL510243 0.81 MEN1 (0.49) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL510481 0.81 MAOA (0.53) ALDH1A1MEN1KMT2AKDM4EMAOB
SCHEMBL12447263 0.79 ALDH1A1 (0.42) ALDH1A1CA2MEN1KMT2ARAB9A
SCHEMBL10331742 0.78 ABAT (0.76) ALDH5A1ABATALDH1A1CA2ESR1
SCHEMBL2921318 0.78 HDAC8 (0.43) ALDH1A1CA2MEN1KMT2ARAB9A

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140336160-A1 NOVEL GLUCOCORTICOLD RECEPTOR AGONISTS PFIZER (US) 2014-11-13 US disclosed
US-20140336160-A1 NOVEL GLUCOCORTICOLD RECEPTOR AGONISTS PFIZER (US) 2014-11-13 US disclosed
US-20140336160-A1 NOVEL GLUCOCORTICOLD RECEPTOR AGONISTS PFIZER (US) 2014-11-13 US disclosed
US-8822439-B2 Glucocorticoid receptor agonists PFIZER INC. (US) 2014-09-02 US disclosed
US-8822439-B2 Glucocorticoid receptor agonists PFIZER INC. (US) 2014-09-02 US disclosed
US-8822439-B2 Glucocorticoid receptor agonists PFIZER INC. (US) 2014-09-02 US disclosed
US-8481517-B2 Pyrrolidine compounds,pharmaceutical compositions containing the same, devices containing the same, and methods of treating asthma or chronic obstructive pulmonary disease by administering the same CHIESI FARMACEUTICI S.P.A. (IT) 2013-07-09 US disclosed
EP-2225256-B1 NOVEL GLUCOCORTICOID RECEPTOR AGONISTS PFIZER LTD (GB) 2013-01-09 EP disclosed
EP-2225256-B1 NOVEL GLUCOCORTICOID RECEPTOR AGONISTS PFIZER LTD (GB) 2013-01-09 EP disclosed
EP-2531516-A2 PREGNANE COMPOUNDS CONDENSED IN POSITION 16,17 WITH A PYROLIDINE RING WITH GLUCOCORTICOID ACTIVITY Chiesi Farmaceutici S.p.A. (IT) 2012-12-12 EP disclosed
US-20110201580-A1 PYRROLIDINE DERIVATIVES CHIESI FARMACEUTICI S.P.A. (IT) 2011-08-18 US disclosed
WO-2011095535-A2 PYRROLIDINE DERIVATIVES CHIESI FARMACEUTICI S.P.A. (IT) 2011-08-11 WO disclosed
EP-2225256-A2 NOVEL GLUCOCORTICOID RECEPTOR AGONISTS Pfizer Limited (GB) 2010-09-08 EP disclosed
US-20090227548-A1 Novel Glucocorticoid Receptor Agonists GLOSSOP PAUL ALAN 2009-09-10 US disclosed
US-20090227548-A1 Novel Glucocorticoid Receptor Agonists GLOSSOP PAUL ALAN 2009-09-10 US disclosed
US-20090227548-A1 Novel Glucocorticoid Receptor Agonists GLOSSOP PAUL ALAN 2009-09-10 US disclosed
WO-2009069032-A2 NOVEL GLUCOCORTICOID RECEPTOR AGONISTS PFIZER LIMITED (GB) 2009-06-04 WO disclosed
WO-2009069032-A2 NOVEL GLUCOCORTICOID RECEPTOR AGONISTS PFIZER LIMITED (GB) 2009-06-04 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 (3 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-20090227548-A1 Novel Glucocorticoid Receptor Agonists NR3C1, NR3C2, MC2R ALDH5A1 4073/4885ABAT 3288/4885ALDH1A1 2013/4885
US-20140336160-A1 NOVEL GLUCOCORTICOLD RECEPTOR AGONISTS NR3C1, TSLP, MRGPRX2 ALDH5A1 4194/4885ABAT 3712/4885ALDH1A1 2281/4885
US-20110201580-A1 PYRROLIDINE DERIVATIVES IL5, TSLP, NR3C1 ALDH5A1 970/4885ABAT 1360/4885ALDH1A1 2040/4885

“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.