SCHEMBL3645992

SCHEMBL3645992

Cc1cc(C)c(S(=O)(=O)NC(CN2CCCc3cc(C)ccc32)C(C)C)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.41
ITGAV P06756 1/20 0.41
NR3C1 P04150 5/20 0.40
NR3C2 P08235 3/20 0.40
PGR P06401 2/20 0.40
POLB P06746 1/20 0.39
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPY5R Q15761 1/20 0.38
HTT P42858 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
SCHEMBL3686531 0.90 L3MBTL1 (0.53) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL3638968 0.87 CHRM2 (0.43) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL3643703 0.85 CHRM2 (0.43) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL4069425 0.84 NR3C1 (0.49) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL13593767 0.84 NR3C1 (0.47) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL3644414 0.77 NR3C1 (0.46) MAPTNR3C1NR3C2PGR
SCHEMBL3739907 0.77 NR3C1 (0.46) MAPTNR3C1NR3C2PGR
SCHEMBL4068222 0.76 NR3C1 (0.49) L3MBTL1ITGAVNR3C1NR3C2PGR
SCHEMBL4075473 0.76 NR3C1 (0.47) CHRM2CHRM4CHRM1CHRM3MAPT
SCHEMBL4071357 0.75 NR3C1 (0.48) ALDH1A1NR3C1NR3C2PGRPOLB

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 9 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
EP-2183217-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2010-05-12 EP claimed
WO-2009015067-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-29 WO 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
EP-2183217-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2010-05-12 EP 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
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 CHRM2 266/4885CHRM4 342/4885CHRM1 247/4885

“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.