SCHEMBL16014584

SCHEMBL16014584

COc1ccc(Cn2nc(S(C)(=O)=O)nc2Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
SDHB P21912 1/20 0.41
NPBWR1 P48145 3/20 0.41
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
APLNR P35414 1/20 0.40
TOP2A P11388 1/20 0.40
PTGS2 P35354 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MCHR1 Q99705 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PARK7 Q99497 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
SCHEMBL16014815 0.85 NPBWR1 (0.45) CMA1ALDH1A1MAPK1SDHBNPBWR1
SCHEMBL6637022 0.80 KDM4E (0.45) CMA1ALDH1A1NPBWR1GSK3AGSK3B
SCHEMBL16014473 0.79 PTGS1 (0.44) CMA1ALDH1A1NPBWR1GSK3AGSK3B
SCHEMBL31707130 0.78 CMA1 (0.44) CMA1ALDH1A1NPBWR1GSK3AGSK3B
SCHEMBL18723695 0.78 CMA1 (0.44) CMA1ALDH1A1MAPK1NPBWR1GSK3A
SCHEMBL16014737 0.78 NPBWR1 (0.41) ALDH1A1MAPK1SDHBNPBWR1PTGS2
SCHEMBL16014514 0.77 MET (0.44) CMA1ALDH1A1NPBWR1GSK3AGSK3B
SCHEMBL16014823 0.75 KDM4E (0.44) CMA1ALDH1A1NPBWR1GSK3AGSK3B
SCHEMBL16014845 0.75 ALDH1A1 (0.41) CMA1ALDH1A1NPBWR1GSK3AGSK3B
SCHEMBL15556442 0.75 MAPT (0.50) CMA1NPBWR1GSK3AGSK3BMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2964626-A1 ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2016-01-13 EP disclosed
US-20160002180-A1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (US) 2016-01-07 US disclosed
WO-2014135472-A1 ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-12 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-20160002180-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS CMA1 510/4885ALDH1A1 204/4885MAPK1 2157/4885

“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.