SCHEMBL1716724

SCHEMBL1716724

CS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)c(Br)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 4/20 0.38
▸ PDK2 Q15119 4/20 0.38
▸ PDK3 Q15120 4/20 0.38
▸ PDK4 Q16654 4/20 0.38
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ SLC40A1 Q9NP59 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ POLB P06746 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ JAK2 O60674 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KLK7 P49862 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL30254317 0.79 SMN1; SMN2 (0.43) PDK1PDK2PDK3PDK4CA2
SCHEMBL23885689 0.79 SMN1; SMN2 (0.43) PDK1PDK2PDK3PDK4CA2
SCHEMBL30254529 0.79 CA2 (0.39) PDK1PDK2PDK3PDK4CA1
SCHEMBL23885406 0.79 CA2 (0.39) PDK1PDK2PDK3PDK4CA1
SCHEMBL3220102 0.77 CA2 (0.38) PDK1PDK2PDK3PDK4CA1
SCHEMBL23885291 0.76 CA2 (0.41) PDK1PDK2PDK3PDK4CA1
SCHEMBL30254414 0.76 CA2 (0.41) PDK1PDK2PDK3PDK4CA1
SCHEMBL31263190 0.76 SMN1; SMN2 (0.37) PDK1PDK2PDK3PDK4CA2
SCHEMBL3226137 0.75 CYP1A2 (0.42) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL2077257 0.68 SLC40A1 (0.49) PDK1PDK2PDK3PDK4SLC40A1

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-8268859-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-18 — — US disclosed
US-8268859-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-18 — — US disclosed
US-8268859-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-18 — — US disclosed
EP-2300472-B1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2012-01-18 — — EP disclosed
EP-2300472-B1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2012-01-18 — — EP disclosed
CN-102112476-A Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM INT 2011-06-29 — — CN disclosed
US-20090325988-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-12-31 — — US disclosed
US-20090325988-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-12-31 — — US disclosed
US-20090325988-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-12-31 — — 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-20090325988-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof NR3C1, NR3C2, MC2R PDK1 2724/4885PDK2 3048/4885PDK3 3301/4885

“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.

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