SCHEMBL837758

SCHEMBL837758

CC(c1ccc(F)cc1Cl)C(O)(c1ccnc(-c2cccc(C(=O)O)c2)c1)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMO O15229 4/20 0.40
KDM4C Q9H3R0 4/20 0.39
MDM4 O15151 1/20 0.37
MDM2 Q00987 1/20 0.37
MAP2K4 P45985 1/20 0.36
SYK P43405 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
F9 P00740 1/20 0.35
PLAU P00749 1/20 0.35
AKR1C3 P42330 2/20 0.35
AKR1C2 P52895 2/20 0.35
KDM5A P29375 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
LDHA P00338 1/20 0.35
LDHB P07195 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34

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
SCHEMBL838573 0.90 MDM4 (0.39) KDM4CMDM4MDM2SYKMRGPRX4
SCHEMBL837915 0.88 MRGPRX4 (0.41) KMOKDM4CMRGPRX4KDM5AKDM5B
SCHEMBL837922 0.88 KMO (0.37) KMOMDM4MDM2SYK
SCHEMBL837969 0.87 KMO (0.36) KMOMDM4MDM2
SCHEMBL479909 0.86 KMO (0.41) KMOKDM4CSYKF9PLAU
SCHEMBL754359 0.86 KMO (0.41) KMOKDM4CSYKF9PLAU
SCHEMBL479873 0.85 KMO (0.40) KMOSYKF9PLAUAKR1C3
SCHEMBL754770 0.84 KMO (0.43) KMOKDM4CSYKRXRARXRB
SCHEMBL479917 0.84 KMO (0.43) KMOKDM4CSYKRXRARXRB
SCHEMBL838443 0.83 MRGPRX4 (0.38) KMOKDM4CMDM4MDM2MRGPRX4

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 KMO 2200/4885KDM4C 4679/4885MDM4 4777/4885
US-20130045972-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R KMO 2200/4885KDM4C 4679/4885MDM4 4777/4885

“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.