SCHEMBL3766824

SCHEMBL3766824

CC[C@@H](Cn1cc(C#N)c2ccccc21)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 10/20 1.00
NR3C2 P08235 9/20 1.00
PGR P06401 6/20 1.00
CYP3A4 P08684 3/20 1.00
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CCR10 P46092 1/20 0.41
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 2/20 0.38
STAT3 P40763 1/20 0.38

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
SCHEMBL3774636 0.88 NR3C1 (0.78) NR3C1NR3C2PGRCYP3A4ALDH1A1
SCHEMBL3640675 0.88 NR3C1 (0.78) NR3C1NR3C2PGRCYP3A4ALDH1A1
SCHEMBL3767289 0.87 NR3C1 (1.00) NR3C1NR3C2PGRCYP3A4CCR10
SCHEMBL3643264 0.87 NR3C1 (1.00) NR3C1NR3C2PGRCYP3A4CCR10
SCHEMBL3778144 0.85 NR3C1 (0.78) NR3C1NR3C2PGRCYP3A4CCR10
SCHEMBL3680049 0.81 NR3C1 (0.74) NR3C1NR3C2PGRCYP3A4MAPT
SCHEMBL3642553 0.80 NR3C1 (0.87) NR3C1NR3C2PGRCYP3A4
SCHEMBL3774732 0.79 NR3C1 (1.00) NR3C1NR3C2PGRCYP3A4ALDH1A1
SCHEMBL3778962 0.75 NR3C1 (0.60) NR3C1NR3C2PGRCYP3A4SMN1; SMN2
SCHEMBL4069539 0.75 NR3C1 (0.63) NR3C1NR3C2PGRCYP3A4CCR10

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 3/4885PGR 84/4885

“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.