SCHEMBL2287407

SCHEMBL2287407

CC(=O)N(C)c1cccc(CNC(=O)c2ccc(SC(F)(F)F)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.57
EPHX2 P34913 2/20 0.57
ROCK1 Q13464 3/20 0.50
ROCK2 O75116 2/20 0.50
MLYCD O95822 1/20 0.46
NAMPT P43490 1/20 0.46
MAPK14 Q16539 2/20 0.43
PTPRZ1 P23471 1/20 0.43
CHRM4 P08173 1/20 0.42
LSS P48449 1/20 0.42
AURKA O14965 1/20 0.41
RPS6KB1 P23443 1/20 0.41
AURKB Q96GD4 1/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.41
PLA2G1B P04054 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
SCHEMBL2288232 0.90 NR1H4 (0.60) NR1H4EPHX2ROCK1ROCK2MLYCD
SCHEMBL2288184 0.80 NR1H4 (0.61) NR1H4EPHX2MLYCDNAMPTMAPK14
SCHEMBL2283424 0.78 EPHX2 (0.73) NR1H4EPHX2NAMPTPTPRZ1LSS
SCHEMBL2287178 0.76 EPHX2 (0.57) NR1H4EPHX2ROCK1ROCK2NAMPT
SCHEMBL12968968 0.76 ROCK1 (0.49) ROCK1ROCK2CYP2D6KMT2A
SCHEMBL2288180 0.76 NR1H4 (0.56) NR1H4EPHX2MLYCDNAMPTMAPK14
SCHEMBL2287160 0.74 EPHX2 (0.54) NR1H4EPHX2ROCK1ROCK2MLYCD
SCHEMBL2282890 0.74 EPHX2 (0.70) NR1H4EPHX2NAMPTPTPRZ1LSS
SCHEMBL6001754 0.73 EPHX2 (0.73) NR1H4EPHX2NAMPTMAPK14PTPRZ1
SCHEMBL2283481 0.73 EPHX2 (0.53) NR1H4EPHX2ROCK1ROCK2MLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2119476-B1 Amide derivatives as positive allosteric modulators and methods of use thereof ABBVIE INC (US) 2014-03-19 EP claimed
US-7994223-B2 Amide derivatives as positive allosteric modulators and methods of use thereof ABBOTT LABORATORIES (US) 2011-08-09 US claimed
US-20100286109-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-11-11 US claimed
US-7786171-B2 Amide derivatives as positive allosteric modulators and methods of use thereof ABBOTT LABORATORIES (US) 2010-08-31 US claimed
WO-2009145996-A2 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-12-03 WO claimed
EP-2119476-A2 Amide derivatives as positive allosteric modulators and methods of use thereof ABBOTT LABORATORIES (US) 2009-11-18 EP claimed
US-20090253670-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-10-08 US claimed
EP-2119476-B1 Amide derivatives as positive allosteric modulators and methods of use thereof ABBVIE INC (US) 2014-03-19 EP disclosed
US-7994223-B2 Amide derivatives as positive allosteric modulators and methods of use thereof ABBOTT LABORATORIES (US) 2011-08-09 US disclosed
US-20100286109-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-11-11 US disclosed
US-7786171-B2 Amide derivatives as positive allosteric modulators and methods of use thereof ABBOTT LABORATORIES (US) 2010-08-31 US disclosed
EP-2119476-A2 Amide derivatives as positive allosteric modulators and methods of use thereof ABBOTT LABORATORIES (US) 2009-11-18 EP disclosed
US-20090253670-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-10-08 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 (2 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-20100286109-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF CHRNA4, CHRNA2, CHRNA3 NR1H4 1474/4885EPHX2 3609/4885ROCK1 3654/4885
US-20090253670-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF CHRNA4, CHRNA2, CHRNA3 NR1H4 1474/4885EPHX2 3609/4885ROCK1 3654/4885

“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.