SCHEMBL838558

SCHEMBL838558

COc1ccc(-n2ncc3cc(C(=O)C(C)c4ccc(Cl)cc4Cl)ccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 2/20 0.45
NR3C1 P04150 4/20 0.43
NPBWR1 P48145 6/20 0.42
HPGD P15428 1/20 0.41
RAB9A P51151 3/20 0.41
MAPT P10636 2/20 0.41
SHMT2 P34897 1/20 0.40
MCHR1 Q99705 3/20 0.40
NPC1 O15118 1/20 0.40
S1PR4 O95977 1/20 0.40
ALDH1A1 P00352 1/20 0.40
S1PR1 P21453 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
PAX8 Q06710 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PGR P06401 1/20 0.40
MARS1 P56192 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39

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 0.91 HPGD (0.48) SMONR3C1NPBWR1HPGDRAB9A
SCHEMBL837357 0.88 HPGD (0.48) SMONR3C1HPGDKMT2APGR
SCHEMBL838131 0.83 SMO (0.47) SMOHPGDRAB9ASHMT2NPC1
SCHEMBL839260 0.80 NR3C1 (0.44) SMONR3C1NPBWR1RAB9AMAPT
SCHEMBL839293 0.76 NR3C1 (0.48) NR3C1NPBWR1PGRCYP11B1CYP11B2
SCHEMBL474525 0.71 SMN1; SMN2 (0.52) HPGDMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL838156 0.70 SMO (0.43) SMONR3C1NPBWR1HPGDMCHR1
SCHEMBL23680874 0.70 HPGD (0.65) SMOHPGDRAB9AMAPTNPC1
SCHEMBL9960037 0.69 PARP10 (0.54) SMONR3C1PGRCYP11B1CYP11B2
SCHEMBL838181 0.67 NR3C1 (0.47) SMONR3C1PGRCYP11B1CYP11B2

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 SMO 4450/4885NR3C1 1/4885NPBWR1 129/4885
US-20130045972-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R SMO 4450/4885NR3C1 1/4885NPBWR1 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.