SCHEMBL838738

SCHEMBL838738

COc1cccc(-n2ncc3cc(C(=O)C(C)c4ccc(Cl)cc4Cl)ccc32)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.48
SMO Q99835 1/20 0.47
NPBWR1 P48145 3/20 0.41
MCHR1 Q99705 3/20 0.41
NR3C1 P04150 4/20 0.41
MAPK8 P45983 2/20 0.41
MAPK10 P53779 2/20 0.41
PGR P06401 1/20 0.41
MAP4K4 O95819 1/20 0.40
AURKB Q96GD4 1/20 0.40
SRPK1 Q96SB4 1/20 0.40
SHMT2 P34897 1/20 0.39
RAB9A P51151 1/20 0.39
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP11B1 P15538 3/20 0.38
CYP11B2 P19099 3/20 0.38
THRB P10828 1/20 0.38
CCR2 P41597 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
SCHEMBL838558 0.91 SMO (0.45) HPGDSMONPBWR1MCHR1NR3C1
SCHEMBL837357 0.88 HPGD (0.48) HPGDSMONR3C1MAPK8MAPK10
SCHEMBL838131 0.83 SMO (0.47) HPGDSMOMAPK8MAPK10SHMT2
SCHEMBL838156 0.80 SMO (0.43) HPGDSMONPBWR1MCHR1NR3C1
SCHEMBL838181 0.77 NR3C1 (0.47) SMONR3C1PGRCYP11B1CYP11B2
SCHEMBL839260 0.70 NR3C1 (0.44) SMONPBWR1MCHR1NR3C1PGR
SCHEMBL474525 0.70 SMN1; SMN2 (0.52) HPGDHTTSMN1; SMN2
SCHEMBL837601 0.68 SMO (0.51) HPGDSMONPBWR1MCHR1NR3C1
SCHEMBL27787610 0.68 SMO (0.51) HPGDSMONPBWR1MCHR1NR3C1
SCHEMBL838199 0.68 NR3C1 (0.44) HPGDSMONR3C1PGRCYP11B1

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 5 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
US-20090088425-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 US 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 1610/4885SMO 4450/4885NPBWR1 129/4885
US-20130045972-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R HPGD 1610/4885SMO 4450/4885NPBWR1 129/4885

“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.