SCHEMBL3219044

SCHEMBL3219044

CC[C@@H](CNc1ccc2cn[nH]c2c1)NS(=O)(=O)c1c(C)cc(C)cc1C

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 16/20 0.51
NR3C2 P08235 12/20 0.47
PGR P06401 11/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL3210494 0.92 NR3C1 (0.51) NR3C1NR3C2PGR
SCHEMBL4529367 0.88 NR3C1 (0.66) NR3C1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL3199839 0.83 NR3C1 (0.49) NR3C1NR3C2PGR
SCHEMBL4515882 0.79 NR3C1 (0.66) NR3C1NR3C2PGR
SCHEMBL3224128 0.79 NR3C1 (0.49) NR3C1NR3C2PGR
SCHEMBL3226574 0.77 NR3C1 (0.67) NR3C1NR3C2PGR
SCHEMBL3215358 0.72 NR3C1 (0.62) NR3C1PGRCYP3A4CYP2C9
SCHEMBL4566694 0.72 NR3C1 (0.62) NR3C1PGRCYP3A4CYP2C9
SCHEMBL3222412 0.72 NR3C1 (0.64) NR3C1NR3C2PGR
SCHEMBL4550490 0.71 NR3C1 (0.46) NR3C1NR3C2PGRCYP3A4CYP2C9

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-20100063282-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions, and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 US claimed
US-20100063282-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions, and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 US disclosed
US-20100063282-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions, and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 US disclosed
US-20100063282-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions, and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 US disclosed
WO-2008124665-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-16 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-20100063282-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions, and Uses Thereof NR3C1, MC2R, NR3C2 NR3C1 1/4885NR3C2 3/4885PGR 104/4885

“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.