SCHEMBL1166232

SCHEMBL1166232

CC(=O)c1ccc(Cn2cc(NC(=O)C=Cc3ccc(C(F)(F)F)cc3)cn2)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R8 Q9NYW2 1/20 0.49
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
MAOB P27338 3/20 0.46
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
LMNA P02545 3/20 0.45
PKM P14618 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HDAC3 O15379 1/20 0.44
ADAM17 P78536 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 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
SCHEMBL1168189 1.00 TAS2R8 (0.49) TAS2R8ALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL1166230 1.00 TAS2R8 (0.49) TAS2R8ALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL1166453 0.90 MEN1 (0.54) TAS2R8ALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL1167510 0.90 MEN1 (0.54) TAS2R8ALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL1166450 0.90 MEN1 (0.54) TAS2R8ALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL1166442 0.89 TAS2R8 (0.54) TAS2R8ALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL1166445 0.89 TAS2R8 (0.54) TAS2R8ALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL1168588 0.89 TAS2R8 (0.54) TAS2R8ALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL1166054 0.88 TAS2R8 (0.51) TAS2R8ALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL1168081 0.88 TAS2R8 (0.51) TAS2R8ALDH1A1SMN1; SMN2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242743-B1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-08-21 EP claimed
US-8288419-B2 Aminopyrazole derivatives ACTELION PHARMACEUTICALS, LTD (CH) 2012-10-16 US claimed
US-20110034516-A1 AMINOPYRAZOLE DERIVATIVES ACTELION (CH) 2011-02-10 US claimed
EP-2242743-B1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-08-21 EP disclosed
CN-101903353-B Aminopyrazole derivatives ACTELION PHARMACEUTICALS LTD 2013-04-10 CN disclosed
US-8288419-B2 Aminopyrazole derivatives ACTELION PHARMACEUTICALS, LTD (CH) 2012-10-16 US disclosed
US-20110034516-A1 AMINOPYRAZOLE DERIVATIVES ACTELION (CH) 2011-02-10 US disclosed
CN-101903353-A Aminopyrazole derivatives ACTELION PHARMACEUTICALS LTD 2010-12-01 CN 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-20110034516-A1 AMINOPYRAZOLE DERIVATIVES CYP3A43, CYP1A2, CYP3A5 TAS2R8 1765/4885ALDH1A1 96/4885SMN1; SMN2 4612/4885

“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.