SCHEMBL837203

SCHEMBL837203

COc1ccc(C(C)C(O)(c2ccnc(-c3ccc(C(=O)O)cc3)c2)C(F)(F)F)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.39
KDM1A O60341 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
KMO O15229 1/20 0.37
KDM5A P29375 2/20 0.37
KDM2B Q8NHM5 2/20 0.37
KDM4C Q9H3R0 2/20 0.37
KDM5B Q9UGL1 2/20 0.37
LOXL2 Q9Y4K0 1/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
CYP2C8 P10632 1/20 0.36
CSNK2A2 P19784 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
SCHEMBL837915 0.93 MRGPRX4 (0.41) KMOKDM5AKDM2BKDM4CKDM5B
SCHEMBL836700 0.90 CDC7 (0.39) NPC1ALDH1A1RAB9AABL1BCR
SCHEMBL754770 0.89 KMO (0.43) KMOKDM2BKDM4CLOXL2RXRA
SCHEMBL479917 0.89 KMO (0.43) KMOKDM2BKDM4CLOXL2RXRA
SCHEMBL15789725 0.88 KMO (0.38) KMOKDM5AKDM2BKDM4CKDM5B
SCHEMBL480017 0.87 KDM4E (0.39) KMOKDM4CLOXL2KDM4ENPC1
SCHEMBL838278 0.86 NR1H4 (0.38) NPC1RAB9ASMN1; SMN2MRGPRX4ABL1
SCHEMBL733518 0.84 KDM4E (0.39) KMOKDM4CLOXL2KDM4ESRD5A2
SCHEMBL733519 0.84 SLC6A3 (0.39) KMOKDM4CKDM4E
SCHEMBL479978 0.82 MEN1 (0.37) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883786-B2 Glucocorticoid receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2014-11-11 US claimed
US-20130045972-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2013-02-21 US claimed
US-8143280-B2 Glucocorticoid receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-03-27 US claimed
EP-2205562-B1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-03-16 EP claimed
EP-2205562-A1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-07-14 EP claimed
US-20090088425-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 US claimed
WO-2009040288-A1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 WO claimed
US-8883786-B2 Glucocorticoid receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2014-11-11 US disclosed
US-20130045972-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2013-02-21 US disclosed
US-8143280-B2 Glucocorticoid receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-03-27 US disclosed
EP-2205562-B1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-03-16 EP disclosed
EP-2205562-A1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-07-14 EP disclosed
US-20090088425-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 US disclosed
WO-2009040288-A1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 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 (2 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-20090088425-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R CHEK1 4346/4885KDM1A 2999/4885HDAC1 373/4885
US-20130045972-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R CHEK1 4346/4885KDM1A 2999/4885HDAC1 373/4885

“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.