SCHEMBL2428624

SCHEMBL2428624

CCOC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)nn1CC(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
POLB P06746 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TDP1 Q9NUW8 3/20 0.54
FAAH O00519 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.46
APEX1 P27695 1/20 0.46
RECQL P46063 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
RAB9A P51151 1/20 0.46
GCGR P47871 5/20 0.44
ALDH1A1 P00352 1/20 0.43
ELANE P08246 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
LMNA P02545 1/20 0.41
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41

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
SCHEMBL718990 0.91 FAAH (0.59) MAPTPOLBSMN1; SMN2TDP1FAAH
SCHEMBL5025713 0.87 POLB (0.55) MAPTPOLBSMN1; SMN2TDP1FAAH
SCHEMBL594978 0.87 SMN1; SMN2 (0.70) MAPTPOLBSMN1; SMN2TDP1FAAH
SCHEMBL14290010 0.86 MAPT (0.53) MAPTPOLBSMN1; SMN2TDP1FAAH
SCHEMBL4682703 0.85 MAPT (0.79) MAPTPOLBSMN1; SMN2TDP1L3MBTL1
SCHEMBL4679879 0.85 MAPT (0.53) MAPTPOLBSMN1; SMN2TDP1FAAH
SCHEMBL2423765 0.85 FAAH (0.59) MAPTPOLBSMN1; SMN2TDP1FAAH
SCHEMBL2423857 0.82 MAPT (0.48) MAPTPOLBSMN1; SMN2TDP1FAAH
SCHEMBL4682118 0.81 MAPT (0.47) MAPTPOLBSMN1; SMN2TDP1FAAH
SCHEMBL14215640 0.80 MAPT (0.48) MAPTPOLBSMN1; SMN2TDP1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110237640-A1 PYRAZOLE PHENYL DERIVATIVES ACKERMANN JEAN 2011-09-29 US disclosed
US-20100035953-A1 Pyrazole Phenyl Derivatives ACKERMANN JEAN 2010-02-11 US disclosed
EP-1742923-B1 PYRAZOLE PHENYL DERIVATIVES AS PPAR ACTIVATORS HOFFMANN LA ROCHE (CH) 2009-05-27 EP disclosed
EP-1725546-B1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS HOFFMANN LA ROCHE (CH) 2008-10-08 EP disclosed
US-7265149-B2 Indolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2007-09-04 US disclosed
EP-1742923-A1 PYRAZOLE PHENYL DERIVATIVES AS PPAR ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2007-01-17 EP disclosed
EP-1725546-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-29 EP disclosed
WO-2005105754-A1 PYRAZOLE PHENYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-10 WO disclosed
US-20050245589-A1 Pyrazole phenyl derivatives HOFFMANN-LA ROCHE INC. 2005-11-03 US disclosed
US-20050203160-A1 Indolyl derivatives HOFFMANN-LA ROCHE INC. 2005-09-15 US disclosed
WO-2005085235-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-15 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 (4 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-20100035953-A1 Pyrazole Phenyl Derivatives PPARD, PPARG, PPARA MAPT 4133/4885POLB 2030/4885SMN1; SMN2 4253/4885
US-20050245589-A1 Pyrazole phenyl derivatives PPARD, PPARG, PPARA MAPT 4133/4885POLB 2030/4885SMN1; SMN2 4253/4885
US-20110237640-A1 PYRAZOLE PHENYL DERIVATIVES PPARD, PPARG, PPARA MAPT 4133/4885POLB 2030/4885SMN1; SMN2 4253/4885
US-20050203160-A1 Indolyl derivatives PPARD, PPARA, PPARG MAPT 3559/4885POLB 2066/4885SMN1; SMN2 4244/4885

“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.