SCHEMBL3203640

SCHEMBL3203640

COc1ccc(CN(CC(NS(=O)(=O)c2c(C)cc(C)cc2C)C(F)(F)F)c2ccccn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 9/20 0.52
NR3C2 P08235 8/20 0.52
PGR P06401 6/20 0.52
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CHRM2 P08172 1/20 0.47
CYP3A4 P08684 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
DRD1 P21728 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
SLC6A4 P31645 1/20 0.47
CYP2C19 P33261 1/20 0.47
HRH1 P35367 1/20 0.47
OPRM1 P35372 1/20 0.47

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
SCHEMBL3223364 0.84 NR3C1 (0.56) NR3C1NR3C2PGRALDH1A1LMNA
SCHEMBL3209798 0.83 NR3C1 (0.53) NR3C1NR3C2PGR
SCHEMBL3214527 0.80 NR3C1 (0.56) NR3C1NR3C2PGRCYP1A2CYP3A4
SCHEMBL3221993 0.77 NR3C1 (0.58) NR3C1NR3C2PGR
SCHEMBL3224399 0.75 NR3C1 (0.55) NR3C1NR3C2PGRALDH1A1MEN1
SCHEMBL3226573 0.74 NR3C1 (0.54) NR3C1NR3C2PGR
SCHEMBL3203656 0.74 NR3C1 (0.52) NR3C1NR3C2PGRALDH1A1
SCHEMBL3224405 0.73 NR3C1 (0.56) NR3C1NR3C2PGRALDH1A1
SCHEMBL3223884 0.73 NR3C1 (0.50) NR3C1NR3C2PGRMEN1LMNA
SCHEMBL15662546 0.71 LMNA (0.79) ALDH1A1MEN1LMNACYP1A2CHRM2

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 6 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
EP-2136634-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2009-12-30 EP claimed
WO-2008124665-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-16 WO 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

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.