SCHEMBL3775645

SCHEMBL3775645

Cc1cc(C)c(S(=O)(=O)N[C@@H](C)Cn2ccc3ccccc32)c([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 11/20 0.60
NR3C2 P08235 8/20 0.60
PGR P06401 5/20 0.60
MAPT P10636 3/20 0.52
GAA P10253 1/20 0.52
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RAPGEF4 Q8WZA2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP3A4 P08684 1/20 0.42
MEN1 O00255 1/20 0.40
FGB P02675 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL3643909 1.00 NR3C1 (0.60) NR3C1NR3C2PGRMAPTGAA
SCHEMBL3767103 0.84 NR3C1 (0.48) NR3C1NR3C2PGRCYP3A4
SCHEMBL3640594 0.80 NR3C1 (0.64) NR3C1NR3C2PGRMAPTLMNA
SCHEMBL3780605 0.80 NR3C1 (0.64) NR3C1NR3C2PGRMAPTLMNA
SCHEMBL3677219 0.79 NR3C1 (0.43) NR3C1NR3C2PGRLMNASMN1; SMN2
SCHEMBL3638257 0.79 NR3C1 (0.49) NR3C1NR3C2PGRCYP3A4ALDH1A1
SCHEMBL3773833 0.79 NR3C1 (0.49) NR3C1NR3C2PGRCYP3A4ALDH1A1
SCHEMBL3677221 0.79 NR3C1 (0.43) NR3C1NR3C2PGRLMNASMN1; SMN2
SCHEMBL3642364 0.78 NR3C1 (0.71) NR3C1NR3C2PGRMAPTGAA
SCHEMBL4068207 0.75 NR3C1 (1.00) NR3C1NR3C2PGRMAPTGAA

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 4 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
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.