SCHEMBL3774732

SCHEMBL3774732

CC[C@@H](Cn1ccc2ccccc21)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 12/20 1.00
NR3C2 P08235 11/20 1.00
CYP3A4 P08684 3/20 1.00
PGR P06401 8/20 0.70
CCR10 P46092 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35

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
SCHEMBL3638434 0.86 NR3C1 (0.75) NR3C1NR3C2CYP3A4PGRCCR10
SCHEMBL3571156 0.84 NR3C1 (0.72) NR3C1NR3C2CYP3A4PGRCCR10
SCHEMBL3643264 0.82 NR3C1 (1.00) NR3C1NR3C2CYP3A4PGRCCR10
SCHEMBL3767289 0.82 NR3C1 (1.00) NR3C1NR3C2CYP3A4PGRCCR10
SCHEMBL3778144 0.80 NR3C1 (0.78) NR3C1NR3C2CYP3A4PGRCCR10
SCHEMBL3766824 0.79 NR3C1 (1.00) NR3C1NR3C2CYP3A4PGRCCR10
SCHEMBL3642553 0.74 NR3C1 (0.87) NR3C1NR3C2CYP3A4PGR
SCHEMBL13493343 0.74 NR3C1 (0.59) NR3C1NR3C2CYP3A4PGRMEN1
SCHEMBL3220259 0.74 NR3C1 (0.59) NR3C1NR3C2CYP3A4PGRMEN1
SCHEMBL4436556 0.71 NR3C1 (0.55) NR3C1NR3C2CYP3A4PGRCCR10

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-20100317863-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-16 US claimed
US-20100317863-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-16 US disclosed
US-20100317863-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-16 US disclosed
US-20100317863-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-16 US disclosed
WO-2009015067-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-29 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 (1 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-20100317863-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof NR3C1, MC2R, NR3C2 NR3C1 1/4885NR3C2 3/4885CYP3A4 449/4885

“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.