SCHEMBL3686531

SCHEMBL3686531

Cc1cc(C)c(S(=O)(=O)NC(CN2CCCc3ccccc32)C(C)C)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
ITGAV P06756 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 3/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
NR3C1 P04150 1/20 0.42
KCNQ2 O43526 1/20 0.42
ALDH1A1 P00352 5/20 0.41
GAA P10253 2/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
HIF1A Q16665 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL3645992 0.90 CHRM2 (0.46) L3MBTL1ITGAVMEN1KMT2AMAPT
SCHEMBL4072682 0.84 NR3C1 (0.54) L3MBTL1ITGAVMEN1KMT2AMAPT
SCHEMBL3647674 0.80 ITGAV (0.42) ITGAVMEN1KMT2AMAPTLMNA
SCHEMBL3680921 0.79 ITGAV (0.46) ITGAVMEN1KMT2AMAPTLMNA
SCHEMBL4064814 0.78 NR3C2 (0.56) L3MBTL1ITGAVMEN1KMT2AMAPT
SCHEMBL3642676 0.78 MAPT (0.52) L3MBTL1MEN1KMT2AMAPTLMNA
SCHEMBL3644535 0.77 L3MBTL1 (0.50) L3MBTL1ITGAVMEN1KMT2AMAPT
SCHEMBL3638968 0.77 CHRM2 (0.43) L3MBTL1MEN1KMT2AALDH1A1HDAC3
SCHEMBL3645326 0.75 NR3C1 (0.42) MEN1KMT2APOLBNR3C1
SCHEMBL3643703 0.75 CHRM2 (0.43) L3MBTL1MEN1KMT2AMAPTLMNA

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 7 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
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 L3MBTL1 3335/4885ITGAV 3918/4885MEN1 1018/4885

“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.