SCHEMBL4240954

SCHEMBL4240954

CC(C)Nc1n[nH]c2cc(NS(=O)(=O)c3ccccc3)ccc12

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SGK1 O00141 1/20 0.55
ALDH1A1 P00352 1/20 0.51
AURKA O14965 3/20 0.51
MAP2K4 P45985 8/20 0.48
MAP2K7 O14733 3/20 0.48
IMPDH2 P12268 2/20 0.48
BRD4 O60885 2/20 0.48
ITK Q08881 1/20 0.46
MEN1 O00255 1/20 0.44
CRHBP P24387 1/20 0.44
KMT2A Q03164 1/20 0.44
CRHR2 Q13324 1/20 0.44
GAA P10253 1/20 0.44
GFER P55789 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
AURKB Q96GD4 1/20 0.44

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
SCHEMBL13868900 0.79 MAP2K4 (0.68) SGK1ALDH1A1AURKAMAP2K4MAP2K7
SCHEMBL24287487 0.74 DYRK1A (0.52) SGK1ALDH1A1MAP2K4MAP2K7MEN1
SCHEMBL29516430 0.74 DYRK1A (0.52) SGK1ALDH1A1MAP2K4MAP2K7MEN1
SCHEMBL3966208 0.73 MAP2K4 (0.56) SGK1ALDH1A1AURKAMAP2K4MAP2K7
SCHEMBL7073847 0.72 MAPK10 (0.62)
SCHEMBL590443 0.72 CDC7 (0.52) SGK1ALDH1A1AURKAMAP2K4MAP2K7
SCHEMBL3363062 0.71 GSK3B (0.61) ALDH1A1AURKAGAA
SCHEMBL1461030 0.71 AURKA (0.67) SGK1AURKAMAP2K4MAP2K7BRD4
SCHEMBL22024970 0.70 CYTH2 (0.56) ALDH1A1MEN1CRHBPKMT2ACRHR2
SCHEMBL13868958 0.69 GSK3B (0.77) AURKAMAP2K4AURKB

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517901-B2 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC (US) 2009-04-14 US disclosed
US-7517901-B2 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC (US) 2009-04-14 US disclosed
US-7517901-B2 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC (US) 2009-04-14 US disclosed
CN-101243051-A P38 MAP kinase inhibitors and methods for using the same HOFFMANN LA ROCHE (CH) 2008-08-13 CN disclosed
EP-1919877-A1 P38 MAP KINASE INHIBITORS AND METHODS FOR USING THE SAME F.HOFFMANN-LA ROCHE AG (CH) 2008-05-14 EP disclosed
US-20070049633-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-03-01 US disclosed
US-20070049633-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-03-01 US disclosed
US-20070049633-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-03-01 US disclosed
WO-2007023114-A1 P38 MAP KINASE INHIBITORS AND METHODS FOR USING THE SAME F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 WO disclosed
WO-2007023114-A1 P38 MAP KINASE INHIBITORS AND METHODS FOR USING THE SAME F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 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-20070049633-A1 p38 MAP kinase inhibitors and methods for using the same MAPK1, MAP3K1, MAP3K20 SGK1 457/4885ALDH1A1 2411/4885AURKA 2391/4885

“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.