SCHEMBL837357

SCHEMBL837357

CC(C(=O)c1ccc2c(cnn2-c2ccccc2)c1)c1ccc(Cl)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.48
MGLL Q99685 1/20 0.43
SMO Q99835 3/20 0.42
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
NR3C1 P04150 5/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
PGR P06401 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK10 P53779 1/20 0.37
KHK P50053 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
KMO O15229 2/20 0.37
MAOB P27338 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL838738 0.88 HPGD (0.48) HPGDSMOCYP11B1CYP11B2NR3C1
SCHEMBL838558 0.88 SMO (0.45) HPGDSMOCYP11B1CYP11B2NR3C1
SCHEMBL838131 0.84 SMO (0.47) HPGDSMOMAPK8MAPK10MAOB
SCHEMBL838199 0.78 NR3C1 (0.44) HPGDSMOCYP11B1CYP11B2NR3C1
SCHEMBL19533612 0.74 MGLL (0.55) HPGDMGLLSMONR3C1MAPK8
SCHEMBL837940 0.74 NR3C1 (0.51) CYP11B1CYP11B2NR3C1
SCHEMBL2610311 0.74 MGLL (0.57) HPGDMGLLSMOCYP11B2NR3C1
SCHEMBL4283115 0.69 MGLL (0.52) HPGDMGLLSMONR3C1PGR
SCHEMBL9877764 0.69 ALDH1A1 (0.51) HPGDLMNAPKMMAPK1KMT2A
SCHEMBL4283269 0.68 MGLL (0.56) HPGDMGLLSMOCYP11B1CYP11B2

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
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 HPGD 1610/4885MGLL 1371/4885SMO 4450/4885
US-20130045972-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R HPGD 1610/4885MGLL 1371/4885SMO 4450/4885

“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.